Chemical Properties of Sarcosine, N-(3-methoxybenzoyl)-, isobutyl ester

Sarcosine, N-(3-methoxybenzoyl)-, isobutyl ester

InChI
InChI=1S/C15H21NO4/c1-11(2)10-20-14(17)9-16(3)15(18)12-6-5-7-13(8-12)19-4/h5-8,11H,9-10H2,1-4H3
InChI Key
YTVHSWYUFFFHJE-UHFFFAOYSA-N
Formula
C15H21NO4
SMILES
COc1cccc(C(=O)N(C)CC(=O)OCC(C)C)c1
Molecular Weight1
279.34
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
ΔfH°gas -634.16 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 34.91 kJ/mol Joback Calculated Property
ΔvapH° 88.46 kJ/mol Relay (1.0) Calculated Property
IE 8.33 eV Relay (1.0) Calculated Property
logPoct/wat 1.966 Crippen Calculated Property
McVol 223.310 ml/mol McGowan Calculated Property
Inp 2177.00 NIST
Tboil 623.57 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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 [628.93; 705.95] J/mol×K [720.97; 923.80] Show Hide
Cp,gas 628.93 J/mol×K 720.97 Joback Calculated Property
Cp,gas 644.32 J/mol×K 754.77 Joback Calculated Property
Cp,gas 658.66 J/mol×K 788.58 Joback Calculated Property
Cp,gas 671.97 J/mol×K 822.38 Joback Calculated Property
Cp,gas 684.28 J/mol×K 856.19 Joback Calculated Property
Cp,gas 695.60 J/mol×K 889.99 Joback Calculated Property
Cp,gas 705.95 J/mol×K 923.80 Joback Calculated Property

Similar Compounds

Sarcosine, N-(3-methoxybenzoyl)-, propyl ester. Sarcosine, N-(3-methoxybenzoyl)-, butyl ester. Sarcosine, N-(3-methoxybenzoyl)-, ethyl ester. Sarcosine, N-(3-methoxybenzoyl)-, hexyl ester. Sarcosine, N-(3-methoxybenzoyl)-, pentyl ester. Sarcosine, N-(3-methoxybenzoyl)-, heptyl ester. Sarcosine, N-(3-methoxybenzoyl)-, undecyl ester. Sarcosine, N-(3-methoxybenzoyl)-, dodecyl ester. Sarcosine, N-(3-methoxybenzoyl)-, nonyl ester. Sarcosine, N-(3-methoxybenzoyl)-, tetradecyl ester. Sarcosine, N-(3-methoxybenzoyl)-, octyl ester. Sarcosine, N-(3-methoxybenzoyl)-, isohexyl ester. Sarcosine, n-(4-methoxybenzoyl)-, propyl ester. Sarcosine, N-(2-methoxybenzoyl)-, propyl ester. Sarcosine, N-(4-methoxybenzoyl)-, butyl ester.

Find more compounds similar to Sarcosine, N-(3-methoxybenzoyl)-, 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.