Predicted properties of the compound entered.

ID HQABUPZFAYXKJW-UHFFFAOYSA-N
Formula C4H11N
IUPAC Name butan-1-amine
SMILES CCCCN
Standard InChI InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3
Standard InChIKey InChIKey=HQABUPZFAYXKJW-UHFFFAOYSA-N
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3
Standard InChIKey (User Input) InChIKey=HQABUPZFAYXKJW-UHFFFAOYSA-N
Non-Standard InChI InChI=1/C4H11N/c1-2-3-4-5/h2-5H2,1H3
Non-Standard InChIKey InChIKey=HQABUPZFAYXKJW-UHFFFAOYAE
Other Names and Identifiers butan-1-amine | Butylamine | 85404-21-3 | 109-73-9 | 50929-03-8 | 42939-72-0 | NSC8029 | Norvalamine | WLN: Z4 | n-Butylamine | 471305_SIAL | NCIOpen2_009229 | W313009_ALDRICH | 1-AMINO-BUTANE | InChI=1/C4H11N/c1-2-3-4-5/h2-5H2,1H | LYT | 1-Amino-butaan [Dutch] | 1-Aminobutan [German] | AI3-24197 | CCRIS 4756 | EINECS 203-699-2 | FEMA No. 3130 | FEMA Number 3130 | HSDB 515 | Monobutilamina [Romanian] | NSC 8029 | UN1125 | n-Butilamina [Italian] | n-Butylamin [German] | n-Butylamine [UN1125] [Flammable liquid] | 1-Amino-butaan | 1-Aminobutan | 1-Aminobutane | 1-Butanamine | 1-Butanaminen-butilamina | BUTYLAMINE, N | Mono-n-butylamine | Monobutylamine | N-Butylamin
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 1bar86.4935cal/mol/K
Acentric Factor0.345625dimensionless
Critical Compressibility Factor0.275848dimensionless-
Critical Pressure41.0067bar
Critical Temperature539.2987K
Critical Volume3.0163e-4m3/mol
Enthalpy of Formation for Ideal Gas at 298.15K-22.1608kcal/mol
Liquid Molar Volume at 298.15K9.9186e-5m3/mol
Molecular Weight73.1368g/mol-
Net Standard State Enthalpy of Combustion at 298.15K-663.4444kcal/mol-
Normal Boiling Point357.7419K
Melting Point223.7272K
Refractive Index1.3997dimensionless
Solubility Parameter at 298.15K8894.262cal(1/2)/m(3/2)
Standard State Absolute Entropy at 298.15K and 1bar62.7541cal/mol/K
Standard State Enthalpy of Formation at 298.15K and 1bar-31.1349kcal/mol
Magnetic Susceptibility57.9069ppm
Polarizability13.5014A3
Flash Point267.4418K
Parachor222.0033cm3
Lower Flammability Limit Temperature263.6734K
Lower Flammability Limit Volume Percent1.7002vol%
Upper Flammability Limit Temperature298.4617K
Upper Flammability Limit Volume Percent11.6446vol%
Liquid Density at Normal Boiling Point9432.264mol/m3
Heat of Vaporization at 298.15K8.5011kcal/mol
Heat of Vaporization at Normal Boiling Point7.6734kcal/mol
Water Solubility1.1361log(mol/L)
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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