- InChI
- InChI=1S/C8H6ClNO4/c9-8-2-1-7(10(12)13)3-6(8)4-14-5-11/h1-3,5H,4H2
- InChI Key
- SKGAPYJBJWXFLP-UHFFFAOYSA-N
- Formula
- C8H6ClNO4
- SMILES
- O=COCc1cc([N+](=O)[O-])ccc1Cl
- Molecular Weight1
- 215.59
- 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.
- 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° | -71.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -239.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.11 | kJ/mol | Joback Calculated Property |
| log10WS | -2.97 | Crippen Calculated Property | |
| logPoct/wat | 1.921 | Crippen Calculated Property | |
| McVol | 136.920 | ml/mol | McGowan Calculated Property |
| Pc | 3659.77 | kPa | Joback Calculated Property |
| Inp | 1683.00 | NIST | |
| Tboil | 679.43 | K | Joback Calculated Property |
| Tc | 925.25 | K | Joback Calculated Property |
| Tfus | 469.14 | K | Joback Calculated Property |
| Vc | 0.541 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [318.30; 362.69] | J/mol×K | [679.43; 925.25] | 
|
| Cp,gas | 318.30 | J/mol×K | 679.43 | Joback Calculated Property |
| Cp,gas | 327.51 | J/mol×K | 720.40 | Joback Calculated Property |
| Cp,gas | 335.98 | J/mol×K | 761.37 | Joback Calculated Property |
| Cp,gas | 343.72 | J/mol×K | 802.34 | Joback Calculated Property |
| Cp,gas | 350.74 | J/mol×K | 843.31 | Joback Calculated Property |
| Cp,gas | 357.06 | J/mol×K | 884.28 | Joback Calculated Property |
| Cp,gas | 362.69 | J/mol×K | 925.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, (2-chloro-5-nitrophenyl)methyl ester.
Sources
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