Chemical Properties of 1,2-Butanediol, 2-phenyl-, 1-carbamate

1,2-Butanediol, 2-phenyl-, 1-carbamate

InChI
InChI=1S/C11H15NO3/c1-2-11(14,8-15-10(12)13)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3,(H2,12,13)
InChI Key
WAFIYOULDIWAKR-UHFFFAOYSA-N
Formula
C11H15NO3
SMILES
CCC(O)(COC(N)=O)c1ccccc1
Molecular Weight1
209.25
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Physical Properties

Property Value Unit Source
ΔfusH° 22.94 kJ/mol Joback Calculated Property
log10WS -1.46 Relay (1.0) Calculated Property
logPoct/wat 1.380 Crippen Calculated Property
McVol 165.380 ml/mol McGowan Calculated Property
Tfus 347.91 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [460.80; 518.09] J/mol×K [715.53; 928.77] Show Hide
Cp,gas 460.80 J/mol×K 715.53 Joback Calculated Property
Cp,gas 472.28 J/mol×K 751.07 Joback Calculated Property
Cp,gas 482.92 J/mol×K 786.61 Joback Calculated Property
Cp,gas 492.77 J/mol×K 822.15 Joback Calculated Property
Cp,gas 501.89 J/mol×K 857.69 Joback Calculated Property
Cp,gas 510.31 J/mol×K 893.23 Joback Calculated Property
Cp,gas 518.09 J/mol×K 928.77 Joback Calculated Property

Similar Compounds

Hydroxyphenamate. 1-Phenylcyclohexane-1,2-diol cis-. 1,2-Cyclohexanediol, 1-phenyl-, trans-. 1-Phenylcyclopentane-cis-1,2-diol. 10-Hydroxycalamene-8,9-epoxide. N-Desmethyl-cis-tramadol. Kebuzone, methylated. L-Alanine, N-[N-[N-[N-(1-oxodecyl)glycyl]-L-tryptophyl]-L-alanyl]-, methyl ester. 18-Hydroxyoestrone (enol), TMS. Zinc octaethylporphyrin chloride. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-isopropylsilyl.

Find more compounds similar to 1,2-Butanediol, 2-phenyl-, 1-carbamate.

Sources

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