- InChI
- InChI=1S/C9H8ClNO5/c10-5-6-15-9(12)16-8-3-1-7(2-4-8)11(13)14/h1-4H,5-6H2
- InChI Key
- XTINYHMDVMSXCV-UHFFFAOYSA-N
- Formula
- C9H8ClNO5
- SMILES
-
O=C(OCCCl)Oc1ccc([N+](=O)[O-])
cc1 - Molecular Weight1
- 245.62
- 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° | -187.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -407.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.11 | kJ/mol | Joback Calculated Property |
| log10WS | -3.07 | Crippen Calculated Property | |
| logPoct/wat | 2.349 | Crippen Calculated Property | |
| McVol | 156.880 | ml/mol | McGowan Calculated Property |
| Pc | 3220.98 | kPa | Joback Calculated Property |
| Inp | 1931.00 | NIST | |
| Tboil | 724.96 | K | Joback Calculated Property |
| Tc | 965.97 | K | Joback Calculated Property |
| Tfus | 498.05 | K | Joback Calculated Property |
| Vc | 0.605 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [390.27; 438.34] | J/mol×K | [724.96; 965.97] | 
|
| Cp,gas | 390.27 | J/mol×K | 724.96 | Joback Calculated Property |
| Cp,gas | 400.48 | J/mol×K | 765.13 | Joback Calculated Property |
| Cp,gas | 409.80 | J/mol×K | 805.30 | Joback Calculated Property |
| Cp,gas | 418.25 | J/mol×K | 845.46 | Joback Calculated Property |
| Cp,gas | 425.82 | J/mol×K | 885.63 | Joback Calculated Property |
| Cp,gas | 432.51 | J/mol×K | 925.80 | Joback Calculated Property |
| Cp,gas | 438.34 | J/mol×K | 965.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, 2-chloroethyl 4-nitrophenyl ester.
Sources
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