- InChI
- InChI=1S/C9H7Cl2NO4/c10-8(11)5-16-9(13)6-1-3-7(4-2-6)12(14)15/h1-4,8H,5H2
- InChI Key
- JIPLOCBYOXAWRX-UHFFFAOYSA-N
- Formula
- C9H7Cl2NO4
- SMILES
-
O=C(OCC(Cl)Cl)c1ccc([N+](=O)[O
-])cc1 - Molecular Weight1
- 264.06
- Other Names
-
- Ethanol, 2,2-dichloro, 4-nitrobenzoate
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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° | -96.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -296.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.70 | kJ/mol | Joback Calculated Property |
| log10WS | -3.70 | Crippen Calculated Property | |
| logPoct/wat | 2.555 | Crippen Calculated Property | |
| McVol | 163.250 | ml/mol | McGowan Calculated Property |
| Pc | 3177.55 | kPa | Joback Calculated Property |
| Inp | [1809.00; 1841.00] |
|
|
| Inp | 1809.00 | NIST | |
| Inp | 1821.00 | NIST | |
| Inp | 1841.00 | NIST | |
| Inp | 1826.00 | NIST | |
| Inp | 1826.00 | NIST | |
| Inp | 1809.00 | NIST | |
| I | [2913.00; 2965.00] |
|
|
| I | 2913.00 | NIST | |
| I | 2938.00 | NIST | |
| I | 2965.00 | NIST | |
| I | 2940.00 | NIST | |
| I | 2940.00 | NIST | |
| I | 2913.00 | NIST | |
| Tboil | 739.53 | K | Joback Calculated Property |
| Tc | 991.47 | K | Joback Calculated Property |
| Tfus | 490.74 | K | Joback Calculated Property |
| Vc | 0.629 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [387.90; 431.94] | J/mol×K | [739.53; 991.47] |
|
| Cp,gas | 387.90 | J/mol×K | 739.53 | Joback Calculated Property |
| Cp,gas | 397.42 | J/mol×K | 781.52 | Joback Calculated Property |
| Cp,gas | 406.02 | J/mol×K | 823.51 | Joback Calculated Property |
| Cp,gas | 413.74 | J/mol×K | 865.50 | Joback Calculated Property |
| Cp,gas | 420.62 | J/mol×K | 907.49 | Joback Calculated Property |
| Cp,gas | 426.67 | J/mol×K | 949.48 | Joback Calculated Property |
| Cp,gas | 431.94 | J/mol×K | 991.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-nitro, 2,2-dichloroethyl ester.
Sources
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