- InChI
- InChI=1S/C18H25NO4/c1-2-3-4-5-6-7-8-9-10-15-23-18(20)16-11-13-17(14-12-16)19(21)22/h9-14H,2-8,15H2,1H3/b10-9+
- InChI Key
- RUSWJAOVWKDAEP-MDZDMXLPSA-N
- Formula
- C18H25NO4
- SMILES
-
CCCCCCCCC=CCOC(=O)c1ccc([N+](=
O)[O-])cc1 - Molecular Weight1
- 319.40
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9192 | Relay (1.0) Calculated Property | |
| ΔfG° | 85.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -425.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.058 | Crippen Calculated Property | |
| McVol | 261.280 | ml/mol | McGowan Calculated Property |
| Pc | 1574.70 | kPa | Joback Calculated Property |
| Inp | [2404.00; 2404.00] |
|
|
| Inp | 2404.00 | NIST | |
| Inp | 2404.00 | NIST | |
| Tboil | 626.31 | K | Relay (1.0) Calculated Property |
| Tc | 874.19 | K | Relay (1.0) Calculated Property |
| Tfus | 293.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.933 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [804.03; 877.10] | J/mol×K | [875.19; 1094.65] |
|
| Cp,gas | 804.03 | J/mol×K | 875.19 | Joback Calculated Property |
| Cp,gas | 818.58 | J/mol×K | 911.77 | Joback Calculated Property |
| Cp,gas | 832.11 | J/mol×K | 948.34 | Joback Calculated Property |
| Cp,gas | 844.66 | J/mol×K | 984.92 | Joback Calculated Property |
| Cp,gas | 856.30 | J/mol×K | 1021.50 | Joback Calculated Property |
| Cp,gas | 867.10 | J/mol×K | 1058.08 | Joback Calculated Property |
| Cp,gas | 877.10 | J/mol×K | 1094.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Nitrobenzoic acid, undec-2-enyl ester.
Sources
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