- InChI
- InChI=1S/C14H13NO3/c1-11-9-13(7-8-14(11)15(16)17)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
- InChI Key
- PBAXHOUGHZKSRP-UHFFFAOYSA-N
- Formula
- C14H13NO3
- SMILES
-
Cc1cc(OCc2ccccc2)ccc1[N+](=O)[
O-] - Molecular Weight1
- 243.26
- CAS
- 22424-58-4
- Other Names
-
- Benzene, 2-methyl-1-nitro-4-(phenylmethoxy)-
- Ether, benzyl 4-nitro-m-tolyl-
- 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° | 203.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -25.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.64 | kJ/mol | Joback Calculated Property |
| log10WS | -4.83 | Crippen Calculated Property | |
| logPoct/wat | 3.482 | Crippen Calculated Property | |
| McVol | 183.890 | ml/mol | McGowan Calculated Property |
| Pc | 2670.78 | kPa | Joback Calculated Property |
| Tboil | 757.30 | K | Joback Calculated Property |
| Tc | 1015.22 | K | Joback Calculated Property |
| Tfus | 491.26 | K | Joback Calculated Property |
| Vc | 0.704 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [499.29; 566.05] | J/mol×K | [757.30; 1015.22] | 
|
| Cp,gas | 499.29 | J/mol×K | 757.30 | Joback Calculated Property |
| Cp,gas | 513.38 | J/mol×K | 800.29 | Joback Calculated Property |
| Cp,gas | 526.21 | J/mol×K | 843.27 | Joback Calculated Property |
| Cp,gas | 537.83 | J/mol×K | 886.26 | Joback Calculated Property |
| Cp,gas | 548.30 | J/mol×K | 929.25 | Joback Calculated Property |
| Cp,gas | 557.69 | J/mol×K | 972.24 | Joback Calculated Property |
| Cp,gas | 566.05 | J/mol×K | 1015.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Benzyloxy-2-nitrotoluene.
Sources
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