Chemical Properties of «beta»-Alanine, N-(2-chlorobenzoyl)-, pentyl ester

«beta»-Alanine, N-(2-chlorobenzoyl)-, pentyl ester

InChI
InChI=1S/C15H20ClNO3/c1-2-3-6-11-20-14(18)9-10-17-15(19)12-7-4-5-8-13(12)16/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,17,19)
InChI Key
MMWDKJCCDUDHPZ-UHFFFAOYSA-N
Formula
C15H20ClNO3
SMILES
CCCCCOC(=O)CCNC(=O)c1ccccc1Cl
Molecular Weight1
297.78
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 -596.97 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 43.52 kJ/mol Joback Calculated Property
ΔvapH° 97.24 kJ/mol Relay (1.0) Calculated Property
log10WS -4.13 Relay (1.0) Calculated Property
logPoct/wat 3.193 Crippen Calculated Property
McVol 229.680 ml/mol McGowan Calculated Property
Pc 1893.65 kPa Joback Calculated Property
Inp 2347.00 NIST
Tboil 621.28 K Relay (1.0) Calculated Property
Tfus 316.18 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 [315.83; 713.92] 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 A1.40960e+01
Coefficient B1.29062e+00
Coefficient C-7.12060e-04
Coefficient D1.21260e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 315.83 J/mol×K 273.00 Calculated Property
Cp,gas 386.94 J/mol×K 353.78 Calculated Property
Cp,gas 450.43 J/mol×K 434.56 Calculated Property
Cp,gas 506.69 J/mol×K 515.33 Calculated Property
Cp,gas 556.11 J/mol×K 596.11 Calculated Property
Cp,gas 599.06 J/mol×K 676.89 Calculated Property
Cp,gas 635.93 J/mol×K 757.67 Calculated Property
Cp,gas 667.11 J/mol×K 838.44 Calculated Property
Cp,gas 692.98 J/mol×K 919.22 Calculated Property
Cp,gas 713.92 J/mol×K 1000.00 Calculated Property

Similar Compounds

«beta»-Alanine, N-(2-chlorobenzoyl)-,hexyl ester. «beta»-Alanine, N-(2-chlorobenzoyl)-, tetradecyl ester. «beta»-Alanine, N-(2-chlorobenzoyl)-, nonyl ester. «beta»-Alanine, N-(2-chlorobenzoyl)-, decyl ester. «beta»-Alanine, N-(2-chlorobenzoyl)-, octyl ester. .beta.-Alanine, N-(2-chlorobenzoyl)-, dodecyl ester. «beta»-Alanine, N-(2-chlorobenzoyl)-, heptyl ester. «beta»-Alanine, N-(2-chlorobenzoyl)-, undecyl ester. «beta»-Alanine, N-(2-chlorobenzoyl)-, butyl ester. «beta»-Alanine, N-(2-chlorobenzoyl)-, propyl ester. «beta»-Alanine, N-(4-chlorobenzoyl)-, pentyl ester. «beta»-Alanine, N-(4-chlorobenzoyl)-, nonyl ester. «beta»-Alanine, N-(4-chlorobenzoyl)-, decyl ester. «beta»-Alanine, N-(4-chlorobenzoyl)-, undecyl ester. «beta»-Alanine, N-(4-chlorobenzoyl)-, octyl ester.

Find more compounds similar to «beta»-Alanine, N-(2-chlorobenzoyl)-, pentyl 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.