- InChI
- InChI=1S/C10H13NO3/c1-8(2)14-7-9-4-3-5-10(6-9)11(12)13/h3-6,8H,7H2,1-2H3
- InChI Key
- JYLYIZFXTADDBT-UHFFFAOYSA-N
- Formula
- C10H13NO3
- SMILES
- CC(C)OCc1cccc([N+](=O)[O-])c1
- Molecular Weight1
- 195.22
- 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° | 64.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -172.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.41 | kJ/mol | Joback Calculated Property |
| log10WS | -3.46 | Crippen Calculated Property | |
| logPoct/wat | 2.520 | Crippen Calculated Property | |
| McVol | 151.290 | ml/mol | McGowan Calculated Property |
| Pc | 2893.62 | kPa | Joback Calculated Property |
| Inp | [1555.00; 1555.00] |
|
|
| Inp | 1555.00 | NIST | |
| Inp | 1555.00 | NIST | |
| Tboil | 633.68 | K | Joback Calculated Property |
| Tc | 869.80 | K | Joback Calculated Property |
| Tfus | 392.24 | K | Joback Calculated Property |
| Vc | 0.582 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [382.74; 453.12] | J/mol×K | [633.68; 869.80] |
|
| Cp,gas | 382.74 | J/mol×K | 633.68 | Joback Calculated Property |
| Cp,gas | 396.77 | J/mol×K | 673.03 | Joback Calculated Property |
| Cp,gas | 409.84 | J/mol×K | 712.39 | Joback Calculated Property |
| Cp,gas | 421.98 | J/mol×K | 751.74 | Joback Calculated Property |
| Cp,gas | 433.23 | J/mol×K | 791.09 | Joback Calculated Property |
| Cp,gas | 443.60 | J/mol×K | 830.44 | Joback Calculated Property |
| Cp,gas | 453.12 | J/mol×K | 869.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (3-Nitrophenyl) methanol, isopropyl ether.
Sources
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