- InChI
- InChI=1S/C11H12ClNO3/c1-2-16-11(15)8-3-5-9(6-4-8)13-10(14)7-12/h3-6H,2,7H2,1H3,(H,13,14)
- InChI Key
- ZVRJEYAQESBSSH-UHFFFAOYSA-N
- Formula
- C11H12ClNO3
- SMILES
- CCOC(=O)c1ccc(NC(=O)CCl)cc1
- Molecular Weight1
- 241.67
- CAS
- 26226-72-2
- 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).
- 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° | -140.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -364.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.74 | kJ/mol | Joback Calculated Property |
| log10WS | -2.49 | Crippen Calculated Property | |
| logPoct/wat | 2.041 | Crippen Calculated Property | |
| McVol | 173.320 | ml/mol | McGowan Calculated Property |
| Pc | 2850.52 | kPa | Joback Calculated Property |
| Tboil | 700.50 | K | Joback Calculated Property |
| Tc | 920.59 | K | Joback Calculated Property |
| Tfus | 457.34 | K | Joback Calculated Property |
| Vc | 0.657 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [435.17; 492.89] | J/mol×K | [700.50; 920.59] | 
|
| Cp,gas | 435.17 | J/mol×K | 700.50 | Joback Calculated Property |
| Cp,gas | 446.82 | J/mol×K | 737.18 | Joback Calculated Property |
| Cp,gas | 457.63 | J/mol×K | 773.86 | Joback Calculated Property |
| Cp,gas | 467.62 | J/mol×K | 810.55 | Joback Calculated Property |
| Cp,gas | 476.82 | J/mol×K | 847.23 | Joback Calculated Property |
| Cp,gas | 485.23 | J/mol×K | 883.91 | Joback Calculated Property |
| Cp,gas | 492.89 | J/mol×K | 920.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, p-(2-chloroacetamido)-, ethyl ester.
Sources
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