Chemical Properties of Sarcosine, n-(2-bromobenzoyl)-, tetradecyl ester

Sarcosine, n-(2-bromobenzoyl)-, tetradecyl ester

InChI
InChI=1S/C24H38BrNO3/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-29-23(27)20-26(2)24(28)21-17-14-15-18-22(21)25/h14-15,17-18H,3-13,16,19-20H2,1-2H3
InChI Key
IZNDKTAEMSJHHD-UHFFFAOYSA-N
Formula
C24H38BrNO3
SMILES
CCCCCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccccc1Br
Molecular Weight1
468.48
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 -700.47 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 65.84 kJ/mol Joback Calculated Property
ΔvapH° 127.32 kJ/mol Relay (1.0) Calculated Property
log10WS -6.99 Relay (1.0) Calculated Property
logPoct/wat 6.765 Crippen Calculated Property
McVol 361.750 ml/mol McGowan Calculated Property
Pc 1060.33 kPa Joback Calculated Property
Tboil 693.62 K Relay (1.0) Calculated Property
Tfus 320.04 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [506.66; 1180.17] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-8.26600e+00
Coefficient B2.22474e+00
Coefficient C-1.31666e-03
Coefficient D2.80360e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 506.66 J/mol×K 273.00 Calculated Property
Cp,gas 626.42 J/mol×K 353.78 Calculated Property
Cp,gas 732.88 J/mol×K 434.56 Calculated Property
Cp,gas 826.92 J/mol×K 515.33 Calculated Property
Cp,gas 909.44 J/mol×K 596.11 Calculated Property
Cp,gas 981.32 J/mol×K 676.89 Calculated Property
Cp,gas 1043.45 J/mol×K 757.67 Calculated Property
Cp,gas 1096.71 J/mol×K 838.44 Calculated Property
Cp,gas 1141.99 J/mol×K 919.22 Calculated Property
Cp,gas 1180.17 J/mol×K 1000.00 Calculated Property

Similar Compounds

Sarcosine, n-(2-bromobenzoyl)-, heptyl ester. Sarcosine, N-(2-bromobenzoyl)-, undecyl ester. Sarcosine, N-(2-bromobenzoyl)-, nonyl ester. Sarcosine, N-(2-bromobenzoyl)-, decyl ester. Sarcosine, N-(2-bromobenzoyl)-, dodecyl ester. Sarcosine, N-(2-bromobenzoyl)-, hexyl ester. Sarcosine, N-(2-bromobenzoyl)-, pentyl ester. Sarcosine, N-(2-bromobenzoyl)-, isohexyl ester. Sarcosine, N-(2-bromobenzoyl)-, butyl ester. Sarcosine, N-(3-bromobenzoyl)-, undecyl ester. Sarcosine, N-(3-bromobenzoyl)-, dodecyl ester. Sarcosine, N-(3-bromobenzoyl)-, heptyl ester. Sarcosine, N-(3-bromobenzoyl)-, nonyl ester. Sarcosine, N-(3-bromobenzoyl)-, hexyl ester. Sarcosine, N-(4-bromobenzoyl)-, octyl ester.

Find more compounds similar to Sarcosine, n-(2-bromobenzoyl)-, tetradecyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.