- InChI
- InChI=1S/C8H6ClNO4/c9-5-8(11)14-7-3-1-6(2-4-7)10(12)13/h1-4H,5H2
- InChI Key
- DYFFUJNIXCDLOR-UHFFFAOYSA-N
- Formula
- C8H6ClNO4
- SMILES
-
O=C(CCl)Oc1ccc([N+](=O)[O-])cc
1 - Molecular Weight1
- 215.59
- CAS
- 79328-69-1
- Other Names
-
- Chloroacetic acid, 4-nitrophenyl ester
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6547 | Relay (1.0) Calculated Property | |
| ΔfG° | -91.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -320.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.739 | Crippen Calculated Property | |
| McVol | 136.920 | ml/mol | McGowan Calculated Property |
| Pc | 3677.55 | kPa | Joback Calculated Property |
| Inp | [1667.00; 1667.00] |
|
|
| Inp | 1667.00 | NIST | |
| Inp | 1667.00 | NIST | |
| Tboil | 563.88 | K | Relay (1.0) Calculated Property |
| Tc | 824.70 | K | Relay (1.0) Calculated Property |
| Tfus | 395.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.473 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [318.83; 364.55] | J/mol×K | [679.66; 929.97] |
|
| Cp,gas | 318.83 | J/mol×K | 679.66 | Joback Calculated Property |
| Cp,gas | 328.44 | J/mol×K | 721.38 | Joback Calculated Property |
| Cp,gas | 337.23 | J/mol×K | 763.10 | Joback Calculated Property |
| Cp,gas | 345.21 | J/mol×K | 804.82 | Joback Calculated Property |
| Cp,gas | 352.41 | J/mol×K | 846.53 | Joback Calculated Property |
| Cp,gas | 358.85 | J/mol×K | 888.25 | Joback Calculated Property |
| Cp,gas | 364.55 | J/mol×K | 929.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Nitrophenyl chloroacetate.
Sources
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