- InChI
- InChI=1S/C9H8N2O6/c1-5-3-7(10(13)14)4-8(11(15)16)9(5)17-6(2)12/h3-4H,1-2H3
- InChI Key
- OEMKFZGDLXBFNO-UHFFFAOYSA-N
- Formula
- C9H8N2O6
- SMILES
-
CC(=O)Oc1c(C)cc([N+](=O)[O-])c
c1[N+](=O)[O-] - Molecular Weight1
- 240.17
- CAS
- 18461-55-7
- Other Names
-
- o-Cresol, 4,6-dinitro-, acetate
- 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° | -54.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -293.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.23 | kJ/mol | Joback Calculated Property |
| log10WS | -3.56 | Crippen Calculated Property | |
| logPoct/wat | 1.737 | Crippen Calculated Property | |
| McVol | 156.190 | ml/mol | McGowan Calculated Property |
| Pc | 3356.75 | kPa | Joback Calculated Property |
| Inp | 1716.00 | NIST | |
| Tboil | 826.91 | K | Joback Calculated Property |
| Tc | 1088.15 | K | Joback Calculated Property |
| Tfus | 614.55 | K | Joback Calculated Property |
| Vc | 0.620 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [425.64; 465.50] | J/mol×K | [826.91; 1088.15] | 
|
| Cp,gas | 425.64 | J/mol×K | 826.91 | Joback Calculated Property |
| Cp,gas | 434.75 | J/mol×K | 870.45 | Joback Calculated Property |
| Cp,gas | 442.86 | J/mol×K | 913.99 | Joback Calculated Property |
| Cp,gas | 449.98 | J/mol×K | 957.53 | Joback Calculated Property |
| Cp,gas | 456.12 | J/mol×K | 1001.07 | Joback Calculated Property |
| Cp,gas | 461.29 | J/mol×K | 1044.61 | Joback Calculated Property |
| Cp,gas | 465.50 | J/mol×K | 1088.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2-methyl-4,6-dinitro, acetate.
Sources
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