- InChI
- InChI=1S/C7H5N3O7/c1-3-4(8(12)13)2-5(9(14)15)7(11)6(3)10(16)17/h2,11H,1H3
- InChI Key
- YYGJRRYSYLLCQH-UHFFFAOYSA-N
- Formula
- C7H5N3O7
- SMILES
-
Cc1c([N+](=O)[O-])cc([N+](=O)[
O-])c(O)c1[N+](=O)[O-] - Molecular Weight1
- 243.13
- CAS
- 602-99-3
- Other Names
-
- 2,4,6-Trinitro-m-cresol
- Phenol, 3-methyl-2,4,6-trinitro-
- m-Cresol, 2,4,6-trinitro-
- Cresylite
- Picric acid, methyl-
- Picric acid, 3-methyl-
- Trinitro-m-cresol
- Trinitro-m-cresolic acid
- 2,4,6-Trinitro-3-methylphenol
- Trinitro-meta-cresol
- UN 0216
- 3-Methylpicric acid
- Methylpicric acid
- NSC 3182
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | [-3213.90; -3212.70] | kJ/mol |
|
| ΔcH°solid | -3212.70 ± 3.20 | kJ/mol | NIST |
| ΔcH°solid | -3213.90 ± 3.20 | kJ/mol | NIST |
| ΔfG° | 43.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -195.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.63 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [104.60; 111.20] | kJ/mol |
|
| ΔsubH° | 111.20 ± 2.10 | kJ/mol | NIST |
| ΔsubH° | 104.60 | kJ/mol | NIST |
| ΔvapH° | 98.22 | kJ/mol | Joback Calculated Property |
| log10WS | -3.45 | Crippen Calculated Property | |
| logPoct/wat | 1.425 | Crippen Calculated Property | |
| McVol | 143.860 | ml/mol | McGowan Calculated Property |
| Pc | 4966.33 | kPa | Joback Calculated Property |
| Tboil | 937.32 | K | Joback Calculated Property |
| Tc | 1229.70 | K | Joback Calculated Property |
| Tfus | 775.18 | K | Joback Calculated Property |
| Vc | 0.531 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [404.16; 449.98] | J/mol×K | [937.32; 1229.70] |
|
| Cp,gas | 404.16 | J/mol×K | 937.32 | Joback Calculated Property |
| Cp,gas | 411.79 | J/mol×K | 986.05 | Joback Calculated Property |
| Cp,gas | 419.22 | J/mol×K | 1034.78 | Joback Calculated Property |
| Cp,gas | 426.61 | J/mol×K | 1083.51 | Joback Calculated Property |
| Cp,gas | 434.10 | J/mol×K | 1132.24 | Joback Calculated Property |
| Cp,gas | 441.84 | J/mol×K | 1180.97 | Joback Calculated Property |
| Cp,gas | 449.98 | J/mol×K | 1229.70 | Joback Calculated Property |
| ΔsubH | 103.30 | kJ/mol | 337.50 | NIST |
Similar Compounds
Find more compounds similar to 3-Methyl-2,4,6-trinitro-phenol.
Sources
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