- InChI
- InChI=1S/C16H22ClNO3/c1-4-12-8-7-9-13(5-2)16(12)18(14(19)10-17)11-15(20)21-6-3/h7-9H,4-6,10-11H2,1-3H3
- InChI Key
- WFKSADNZWSKCRZ-UHFFFAOYSA-N
- Formula
- C16H22ClNO3
- SMILES
-
CCOC(=O)CN(C(=O)CCl)c1c(CC)ccc
c1CC - Molecular Weight1
- 311.80
- CAS
- 38727-55-8
- Other Names
-
- Antor
- Bay NNT 6867
- N-Chloroacetyl-N-(2,6-diethylphenyl)glycine ethyl ester
- Diethacine-ethyl
- Diethatyl-ethyl
- Ethyl N-chloroacetyl-2,6-diethylanilinoacetate
- Ethyl N-(2,6-diethylphenyl)-N-(chloroacetyl)aminoacetate
- H 22234
- Hercules 22234
- Nevirex G
- ethyl N-(chloroacetyl)-N-(2,6-diethylphenyl)glycinate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -87.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -465.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.14 | kJ/mol | Joback Calculated Property |
| log10WS | -3.45 | Crippen Calculated Property | |
| logPoct/wat | 2.946 | Crippen Calculated Property | |
| McVol | 243.770 | ml/mol | McGowan Calculated Property |
| Pc | 1760.97 | kPa | Joback Calculated Property |
| Tboil | 782.15 | K | Joback Calculated Property |
| Tc | 987.76 | K | Joback Calculated Property |
| Tfus | 319.00 ± 0.20 | K | NIST |
| Vc | 0.920 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [687.44; 759.71] | J/mol×K | [782.15; 987.76] | 
|
| Cp,gas | 687.44 | J/mol×K | 782.15 | Joback Calculated Property |
| Cp,gas | 701.81 | J/mol×K | 816.42 | Joback Calculated Property |
| Cp,gas | 715.21 | J/mol×K | 850.69 | Joback Calculated Property |
| Cp,gas | 727.67 | J/mol×K | 884.95 | Joback Calculated Property |
| Cp,gas | 739.22 | J/mol×K | 919.22 | Joback Calculated Property |
| Cp,gas | 749.89 | J/mol×K | 953.49 | Joback Calculated Property |
| Cp,gas | 759.71 | J/mol×K | 987.76 | Joback Calculated Property |
| ΔfusH | 23.84 | kJ/mol | 318.00 | NIST |
Similar Compounds
Find more compounds similar to Glycine, N-(chloroacetyl)-N-(2,6-diethylphenyl)-, ethyl ester.
Sources
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