- InChI
- InChI=1S/C11H11NO6/c1-7(13)17-11(18-8(2)14)9-5-3-4-6-10(9)12(15)16/h3-6,11H,1-2H3
- InChI Key
- PMZHONATLZBKIL-UHFFFAOYSA-N
- Formula
- C11H11NO6
- SMILES
-
CC(=O)OC(OC(C)=O)c1ccccc1[N+](
=O)[O-] - Molecular Weight1
- 253.21
- CAS
- 6345-63-7
- Other Names
-
- o-Nitrobenzal diacetate
- 2-Nitrobenzaldehyde diacetate
- Methanediol, (2-nitrophenyl)-, diacetate
- Toluene-alpha,alpha-diol, o-nitro-, diacetate
- 2-nitrobenzylidene di(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).
- 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° | -290.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -550.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.53 | kJ/mol | Joback Calculated Property |
| log10WS | -2.86 | Crippen Calculated Property | |
| logPoct/wat | 1.720 | Crippen Calculated Property | |
| McVol | 174.390 | ml/mol | McGowan Calculated Property |
| Pc | 2934.52 | kPa | Joback Calculated Property |
| Tboil | 786.72 | K | Joback Calculated Property |
| Tc | 1025.73 | K | Joback Calculated Property |
| Tfus | 525.60 | K | Joback Calculated Property |
| Vc | 0.667 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [480.78; 530.64] | J/mol×K | [786.72; 1025.73] | 
|
| Cp,gas | 480.78 | J/mol×K | 786.72 | Joback Calculated Property |
| Cp,gas | 491.70 | J/mol×K | 826.55 | Joback Calculated Property |
| Cp,gas | 501.58 | J/mol×K | 866.39 | Joback Calculated Property |
| Cp,gas | 510.40 | J/mol×K | 906.22 | Joback Calculated Property |
| Cp,gas | 518.18 | J/mol×K | 946.06 | Joback Calculated Property |
| Cp,gas | 524.93 | J/mol×K | 985.89 | Joback Calculated Property |
| Cp,gas | 530.64 | J/mol×K | 1025.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Nitrotoluene-«alpha»,«alpha»-diol diacetate.
Sources
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