Chemical Properties of Sarcosine, N-(4-methylbenzoyl)-, isobutyl ester

Sarcosine, N-(4-methylbenzoyl)-, isobutyl ester

InChI
InChI=1S/C15H21NO3/c1-11(2)10-19-14(17)9-16(4)15(18)13-7-5-12(3)6-8-13/h5-8,11H,9-10H2,1-4H3
InChI Key
IHAMTAGWELIWOU-UHFFFAOYSA-N
Formula
C15H21NO3
SMILES
Cc1ccc(C(=O)N(C)CC(=O)OCC(C)C)cc1
Molecular Weight1
263.33
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 33.72 kJ/mol Joback Calculated Property
IE 8.49 eV Relay (1.0) Calculated Property
logPoct/wat 2.266 Crippen Calculated Property
McVol 217.440 ml/mol McGowan Calculated Property
Pc 1944.08 kPa Joback Calculated Property
Inp [2066.00; 2066.00]   Show Hide
Inp 2066.00 NIST
Inp 2066.00 NIST
Tboil 614.27 K Relay (1.0) Calculated Property
Tc 807.59 K Relay (1.0) Calculated Property
Tfus 309.47 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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 [601.30; 681.04] J/mol×K [698.55; 902.81] Show Hide
Cp,gas 601.30 J/mol×K 698.55 Joback Calculated Property
Cp,gas 617.11 J/mol×K 732.59 Joback Calculated Property
Cp,gas 631.87 J/mol×K 766.64 Joback Calculated Property
Cp,gas 645.61 J/mol×K 800.68 Joback Calculated Property
Cp,gas 658.37 J/mol×K 834.72 Joback Calculated Property
Cp,gas 670.17 J/mol×K 868.77 Joback Calculated Property
Cp,gas 681.04 J/mol×K 902.81 Joback Calculated Property

Similar Compounds

Sarcosine, N-(4-methylbenzoyl)-, propyl ester. Sarcosine, N-(4-ethylbenzoyl)-, isobutyl ester. Sarcosine, N-(4-trifluoromethylbenzoyl)-, isobutyl ester. Sarcosine, N-(4-chlorobenzoyl)-, isobutyl ester. Sarcosine, N-(4-methylbenzoyl)-, butyl ester. Sarcosine, N-(4-ethylbenzoyl)-, propyl ester. Sarcosine, N-(4-methylbenzoyl)-, ethyl ester. Sarcosine, N-(3-methylbenzoyl)-, propyl ester. Sarcosine, N-(4-methylbenzoyl)-, pentyl ester. Sarcosine, N-(4-ethylbenzoyl)-, butyl ester. Sarcosine, N-(2-fluorobenzoyl)-, isobutyl ester. Sarcosine, N-(1-naphthoyl)-, isobutyl ester. Sarcosine, n-(4-trifluoromethylbenzoyl)-, propyl ester. Sarcosine, N-(4-methylbenzoyl)-, hexyl ester. Sarcosine, N-(4-methylbenzoyl)-, heptyl ester.

Find more compounds similar to Sarcosine, N-(4-methylbenzoyl)-, isobutyl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.