Chemical Properties of Sarcosine, N-(4-ethylbenzoyl)-, isohexyl ester

Sarcosine, N-(4-ethylbenzoyl)-, isohexyl ester

InChI
InChI=1S/C18H27NO3/c1-5-15-8-10-16(11-9-15)18(21)19(4)13-17(20)22-12-6-7-14(2)3/h8-11,14H,5-7,12-13H2,1-4H3
InChI Key
ABDUAGNIOWPREJ-UHFFFAOYSA-N
Formula
C18H27NO3
SMILES
CCc1ccc(C(=O)N(C)CC(=O)OCCCC(C)C)cc1
Molecular Weight1
305.42
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Physical Properties

Property Value Unit Source
ΔfusH° 41.49 kJ/mol Joback Calculated Property
log10WS -4.08 Relay (1.0) Calculated Property
logPoct/wat 3.300 Crippen Calculated Property
McVol 259.710 ml/mol McGowan Calculated Property
Inp 2361.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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 [768.09; 851.43] J/mol×K [767.19; 966.15] Show Hide
Cp,gas 768.09 J/mol×K 767.19 Joback Calculated Property
Cp,gas 784.62 J/mol×K 800.35 Joback Calculated Property
Cp,gas 800.04 J/mol×K 833.51 Joback Calculated Property
Cp,gas 814.40 J/mol×K 866.67 Joback Calculated Property
Cp,gas 827.72 J/mol×K 899.83 Joback Calculated Property
Cp,gas 840.05 J/mol×K 932.99 Joback Calculated Property
Cp,gas 851.43 J/mol×K 966.15 Joback Calculated Property

Similar Compounds

Sarcosine, N-(4-ethylbenzoyl)-, pentyl ester. Sarcosine, N-(4-ethylbenzoyl)-, heptyl ester. Sarcosine, N-(4-ethylbenzoyl)-, hexyl ester. Sarcosine, N-(4-ethylbenzoyl)-, dodecyl ester. Sarcosine, N-(4-ethylbenzoyl)-, tetradecyl ester. Sarcosine, N-(4-ethylbenzoyl)-, decyl ester. Sarcosine, N-(4-ethylbenzoyl)-, undecyl ester. Sarcosine, n-(4-methylbenzoyl)-, isohexyl ester. Sarcosine, N-(4-ethylbenzoyl)-, butyl ester. Sarcosine, N-(4-butylbenzoyl)-, heptyl ester. Sarcosine, N-(4-butylbenzoyl)-, hexyl ester. Sarcosine, N-(4-butylbenzoyl)-, octyl ester. Sarcosine, N-(4-butylbenzoyl)-, nonyl ester. Sarcosine, N-(4-butylbenzoyl)-, dodecyl ester. Sarcosine, N-(4-butylbenzoyl)-, undecyl ester.

Find more compounds similar to Sarcosine, N-(4-ethylbenzoyl)-, isohexyl ester.

Sources

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