- InChI
- InChI=1S/C17H22N2O4/c1-13(2)7-6-8-14(3)11-12-23-17(20)18-15-9-4-5-10-16(15)19(21)22/h4-5,7,9-11H,6,8,12H2,1-3H3,(H,18,20)/b14-11+
- InChI Key
- GQRGGMFOGBGHJX-SDNWHVSQSA-N
- Formula
- C17H22N2O4
- SMILES
-
CC(C)=CCCC(C)=CCOC(=O)Nc1ccccc
1[N+](=O)[O-] - Molecular Weight1
- 318.37
- CAS
- 116373-28-5
- Other Names
-
- O-nitro carbanilic acid, geraniol ester
- 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° | 229.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -156.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.63 | kJ/mol | Joback Calculated Property |
| log10WS | -5.86 | Crippen Calculated Property | |
| logPoct/wat | 4.836 | Crippen Calculated Property | |
| McVol | 252.870 | ml/mol | McGowan Calculated Property |
| Pc | 1812.32 | kPa | Joback Calculated Property |
| Tboil | 906.40 | K | Joback Calculated Property |
| Tc | 1138.96 | K | Joback Calculated Property |
| Tfus | 550.64 | K | Joback Calculated Property |
| Vc | 0.983 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [772.67; 841.70] | J/mol×K | [906.40; 1138.96] | 
|
| Cp,gas | 772.67 | J/mol×K | 906.40 | Joback Calculated Property |
| Cp,gas | 786.18 | J/mol×K | 945.16 | Joback Calculated Property |
| Cp,gas | 798.77 | J/mol×K | 983.92 | Joback Calculated Property |
| Cp,gas | 810.53 | J/mol×K | 1022.68 | Joback Calculated Property |
| Cp,gas | 821.54 | J/mol×K | 1061.44 | Joback Calculated Property |
| Cp,gas | 831.90 | J/mol×K | 1100.20 | Joback Calculated Property |
| Cp,gas | 841.70 | J/mol×K | 1138.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to O-nitro carbanilic acid, nerol ester.
Sources
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