Chemical Properties of Sarcosine, N-(2-chlorobenzoyl)-, hexyl ester

Sarcosine, N-(2-chlorobenzoyl)-, hexyl ester

InChI
InChI=1S/C16H22ClNO3/c1-3-4-5-8-11-21-15(19)12-18(2)16(20)13-9-6-7-10-14(13)17/h6-7,9-10H,3-5,8,11-12H2,1-2H3
InChI Key
CCRNYVLCQLBOBV-UHFFFAOYSA-N
Formula
C16H22ClNO3
SMILES
CCCCCCOC(=O)CN(C)C(=O)c1ccccc1Cl
Molecular Weight1
311.80
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Physical Properties

Property Value Unit Source
ΔfH°gas -573.92 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 44.03 kJ/mol Joback Calculated Property
ΔvapH° 95.09 kJ/mol Relay (1.0) Calculated Property
log10WS -4.20 Relay (1.0) Calculated Property
logPoct/wat 3.535 Crippen Calculated Property
McVol 243.770 ml/mol McGowan Calculated Property
Pc 1723.16 kPa Joback Calculated Property
Inp 2330.00 NIST
Tboil 621.39 K Relay (1.0) Calculated Property
Tfus 294.45 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 [336.37; 766.65] 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 A3.70600e+00
Coefficient B1.43334e+00
Coefficient C-8.30460e-04
Coefficient D1.60060e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 336.37 J/mol×K 273.00 Calculated Property
Cp,gas 413.94 J/mol×K 353.78 Calculated Property
Cp,gas 482.88 J/mol×K 434.56 Calculated Property
Cp,gas 543.72 J/mol×K 515.33 Calculated Property
Cp,gas 596.94 J/mol×K 596.11 Calculated Property
Cp,gas 643.06 J/mol×K 676.89 Calculated Property
Cp,gas 682.58 J/mol×K 757.67 Calculated Property
Cp,gas 716.02 J/mol×K 838.44 Calculated Property
Cp,gas 743.87 J/mol×K 919.22 Calculated Property
Cp,gas 766.65 J/mol×K 1000.00 Calculated Property

Similar Compounds

Sarcosine, N-(2-chlorobenzoyl)-, dodecyl ester. Sarcosine, N-(2-chlorobenzoyl)-, decyl ester. Sarcosine, N-(2-chlorobenzoyl)-, octyl ester. Sarcosine, N-(2-chlorobenzoyl)-, heptyl ester. Sarcosine, N-(2-chlorobenzoyl)-, nonyl ester. Sarcosine, N-(2-chlorobenzoyl)-, pentyl ester. Sarcosine, N-(2-chlorobenzoyl)-, butyl ester. Sarcosine, N-(4-chlorobenzoyl)-, hexyl ester. Sarcosine, N-(4-chlorobenzoyl)-, tetradecyl ester. Sarcosine, N-(4-chlorobenzoyl)-, nonyl ester. Sarcosine, N-(4-chlorobenzoyl)-, octyl ester. Sarcosine, N-(4-chlorobenzoyl)-, undecyl ester. Sarcosine, N-(4-chlorobenzoyl)-, dodecyl ester. Sarcosine, N-(4-chlorobenzoyl)-, heptyl ester. Sarcosine, N-(4-chlorobenzoyl)-, decyl ester.

Find more compounds similar to Sarcosine, N-(2-chlorobenzoyl)-, hexyl ester.

Sources

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