- InChI
- InChI=1S/C3H6ClNO2/c1-3(2,4)5(6)7/h1-2H3
- InChI Key
- JQYFSFNSNVRUPY-UHFFFAOYSA-N
- Formula
- C3H6ClNO2
- SMILES
- CC(C)(Cl)[N+](=O)[O-]
- Molecular Weight1
- 123.54
- CAS
- 594-71-8
- Other Names
-
- 2-Chloro-2-nitropropane
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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° | 0.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -140.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.95 | kJ/mol | Joback Calculated Property |
| log10WS | -1.92 | Crippen Calculated Property | |
| logPoct/wat | 1.238 | Crippen Calculated Property | |
| McVol | 82.790 | ml/mol | McGowan Calculated Property |
| Pc | 4374.18 | kPa | Joback Calculated Property |
| Tboil | 454.08 | K | Joback Calculated Property |
| Tc | 685.88 | K | Joback Calculated Property |
| Tfus | 251.60 ± 0.10 | K | NIST |
| Vc | 0.324 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [157.74; 198.80] | J/mol×K | [454.08; 685.88] | 
|
| Cp,gas | 157.74 | J/mol×K | 454.08 | Joback Calculated Property |
| Cp,gas | 166.12 | J/mol×K | 492.71 | Joback Calculated Property |
| Cp,gas | 173.82 | J/mol×K | 531.35 | Joback Calculated Property |
| Cp,gas | 180.90 | J/mol×K | 569.98 | Joback Calculated Property |
| Cp,gas | 187.39 | J/mol×K | 608.61 | Joback Calculated Property |
| Cp,gas | 193.34 | J/mol×K | 647.24 | Joback Calculated Property |
| Cp,gas | 198.80 | J/mol×K | 685.88 | Joback Calculated Property |
| ΔfusH | [1.34; 9.54] | kJ/mol | [213.80; 261.60] |
|
| ΔfusH | 9.54 | kJ/mol | 213.80 | NIST |
| ΔfusH | 1.34 | kJ/mol | 261.60 | NIST |
| ΔfusH | 1.34 | kJ/mol | 261.60 | NIST |
| ΔfusS | [5.10; 44.62] | J/mol×K | [213.80; 261.60] |
|
| ΔfusS | 44.62 | J/mol×K | 213.80 | NIST |
| ΔfusS | 5.10 | J/mol×K | 261.60 | NIST |
Similar Compounds
Find more compounds similar to Propane, 2-chloro-2-nitro-.
Sources
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