Predicted properties of the compound entered.

ID YLQBMQCUIZJEEH-UHFFFAOYSA-N
Formula C4H4O
IUPAC Name furan
SMILES c1ccoc1
Standard InChI InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H
Standard InChIKey InChIKey=YLQBMQCUIZJEEH-UHFFFAOYSA-N
Cite this record http://www.chemrtp.com/chemical-info.ce?ID=YLQBMQCUIZJEEH-UHFFFAOYSA-N
Copied
Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H
Standard InChIKey (User Input) InChIKey=YLQBMQCUIZJEEH-UHFFFAOYSA-N
Non-Standard InChI InChI=1/C4H4O/c1-2-4-5-3-1/h1-4H
Non-Standard InChIKey InChIKey=YLQBMQCUIZJEEH-UHFFFAOYAC
Other Names and Identifiers FURAN | 110-00-9 | ZINC02041074 | 185922_ALDRICH | C14275 | CHEBI:35559 | furane | 1,4-Epoxy-1,3-butadiene | 5-17-01-00291 (Beilstein Handbook Reference) | AI3-24244 | Axole | BRN 0103221 | CCRIS 3159 | Divinylene oxide | EINECS 203-727-3 | Furan [UN2389] [Flammable liquid] | Furfuran | HSDB 89 | NCI-C56202 | Oxacyclopentadiene | Oxole | RCRA waste no. U124 | RCRA waste number U124 | Tetrole | UN2389 | InChI=1/C4H4O/c1-2-4-5-3-1/h1-4 | NCGC00091774-01
For more property data (~2,100 data sets per compound) with higher accuracy , try our new database.
Mol-Instincts Database
 
Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar64.4918cal/mol/K
Acentric Factor0.206865dimensionless
Critical Compressibility Factor0.290250dimensionless-
Critical Pressure54.1721bar
Critical Temperature489.4454K
Critical Volume2.1804e-4m3/mol
Enthalpy of Formation for Ideal Gas at 298.15K-6.6689kcal/mol
Liquid Molar Volume at 298.15K7.3088e-5m3/mol
Molecular Weight68.0740g/mol-
Net Standard State Enthalpy of Combustion at 298.15K-477.5726kcal/mol-
Normal Boiling Point315.8319K
Melting Point187.5353K
Refractive Index1.4311dimensionless
Solubility Parameter at 298.15K9160.980cal(1/2)/m(3/2)
Standard State Absolute Entropy at 298.15K and 1bar41.7188cal/mol/K
Standard State Enthalpy of Formation at 298.15K and 1bar-14.5689kcal/mol
Magnetic Susceptibility45.0395ppm
Polarizability7.6629A3
Flash Point248.0581K
Parachor158.5203cm3
Lower Flammability Limit Temperature233.9825K
Lower Flammability Limit Volume Percent2.3002vol%
Upper Flammability Limit Temperature276.0605K
Upper Flammability Limit Volume Percent14.3015vol%
Liquid Density at Normal Boiling Point1.3436e+4mol/m3
Heat of Vaporization at 298.15K6.5739kcal/mol
Heat of Vaporization at Normal Boiling Point6.3271kcal/mol
Water Solubility-0.833087log(mol/L)
For professional applications, try our new chemical database based on quantum mechanics - more property data (~2,100 data sets per compound) with higher accuracy.

Mol-Instincts Database

Additional Information Link
1H NMR predictionLink from www.nmrdb.org
13C NMR predictionLink from www.nmrdb.org
COSY predictionnLink from www.nmrdb.org
HSQC/HMBC predictionLink from www.nmrdb.org
All predictionLink from www.nmrdb.org