diff --git a/src/cpcmx/data.f90 b/src/cpcmx/data.f90 index e4d5b4c..fa6a11d 100644 --- a/src/cpcmx/data.f90 +++ b/src/cpcmx/data.f90 @@ -81,19 +81,19 @@ function solvent_name(solvent) solvent_name='2methylpyridine' case('4methyl2pentanone') solvent_name='4methyl2pentanone' - case('aceticacid') + case('aceticacid','ethanoicacid') solvent_name='aceticacid' - case('acetonitrile') + case('acetonitrile','methylcyanide') solvent_name='acetonitrile' case('acetophenone') solvent_name='acetophenone' case('aniline') solvent_name='aniline' - case('anisole') + case('anisole','methoxybenzene') solvent_name='anisole' case('benzene') solvent_name='benzene' - case('benzonitrile') + case('benzonitrile','cyanobenzene') solvent_name='benzonitrile' case('benzylalcohol') solvent_name='benzylalcohol' @@ -101,7 +101,7 @@ function solvent_name(solvent) solvent_name='bromobenzene' case('bromoethane') solvent_name='bromoethane' - case('bromoform') + case('bromoform','tribromomethane') solvent_name='bromoform' case('bromooctane') solvent_name='bromooctane' @@ -113,13 +113,13 @@ function solvent_name(solvent) solvent_name='butylacetate' case('butylbenzene') solvent_name='butylbenzene' - case('carbondisulfide') + case('carbondisulfide','cs2') solvent_name='carbondisulfide' - case('carbontet','carbontetrachlorid','ccl4') + case('carbontet','carbontetrachloride','ccl4','tetrachloromethane') solvent_name='carbontet' case('chlorobenzene') solvent_name='chlorobenzene' - case('chloroform','chcl3') + case('chloroform','chcl3','trichloromethane','TCM') solvent_name='chloroform' case('chlorohexane') solvent_name='chlorohexane' @@ -139,17 +139,17 @@ function solvent_name(solvent) solvent_name='dibutylether' case('dichloroethane') solvent_name='dichloroethane' - case('diethylether') + case('diethylether','ether') solvent_name='diethylether' case('diisopropylether') solvent_name='diisopropylether' case('dimethylacetamide') solvent_name='dimethylacetamide' - case('dimethylformamide') + case('dimethylformamide','dmf') solvent_name='dimethylformamide' case('dimethylpyridine') solvent_name='dimethylpyridine' - case('dimethylsulfoxide') + case('dimethylsulfoxide','dmso') solvent_name='dimethylsulfoxide' case('dodecane') solvent_name='dodecane' @@ -181,7 +181,7 @@ function solvent_name(solvent) solvent_name='iodobenzene' case('isobutanol') solvent_name='isobutanol' - case('isooctane') + case('isooctane','2,2,4-trimethylpentane') solvent_name='isooctane' case('isopropanol') solvent_name='isopropanol' @@ -189,13 +189,13 @@ function solvent_name(solvent) solvent_name='isopropylbenzene' case('isopropyltoluene') solvent_name='isopropyltoluene' - case('mcresol') + case('mcresol','3-methylphenol') solvent_name='mcresol' - case('mesitylene') + case('mesitylene','1,3,5-trimethylbenzene') solvent_name='mesitylene' case('methoxyethanol') solvent_name='methoxyethanol' - case('methylenechloride') + case('methylenechloride', 'dichloromethane', 'DCM', 'ch2cl2') solvent_name='methylenechloride' case('methylformamide') solvent_name='methylformamide' @@ -213,7 +213,7 @@ function solvent_name(solvent) solvent_name='octane' case('octanol') solvent_name='octanol' - case('odichlorobenzene') + case('odichlorobenzene','odcb') solvent_name='odichlorobenzene' case('onitrotoluene') solvent_name='onitrotoluene' @@ -239,11 +239,11 @@ function solvent_name(solvent) solvent_name='tbutylbenzene' case('tetrachloroethene','c2cl4') solvent_name='tetrachloroethene' - case('tetrahydrofuran') + case('tetrahydrofuran','THF') solvent_name='tetrahydrofuran' case('tetrahydrothiophenedioxide','sulfolan') solvent_name='tetrahydrothiophenedioxide' - case('tetralin') + case('tetralin','1,2,3,4-tetrahydronaphthalene') solvent_name='tetralin' case('toluene') solvent_name='toluene' @@ -251,7 +251,7 @@ function solvent_name(solvent) solvent_name='tributylphosphate' case('triethylamine') solvent_name='triethylamine' - case('trimethylbenzene') + case('trimethylbenzene','1,2,3-trimethylbenzene') solvent_name='trimethylbenzene' case('undecane') solvent_name='undecane'