- InChI
- InChI=1S/C19H29NO4/c1-2-3-4-5-6-7-8-9-10-11-16-24-19(21)17-12-14-18(15-13-17)20(22)23/h12-15H,2-11,16H2,1H3
- InChI Key
- NIXNCBRIBRCGQE-UHFFFAOYSA-N
- Formula
- C19H29NO4
- SMILES
-
CCCCCCCCCCCCOC(=O)c1ccc([N+](=
O)[O-])cc1 - Molecular Weight1
- 335.44
- CAS
- 35507-03-0
- Other Names
-
- dodecyl 4-nitrobenzoate
- 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.
- I : 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° | 13.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -465.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.57 | kJ/mol | Joback Calculated Property |
| log10WS | -6.97 | Crippen Calculated Property | |
| logPoct/wat | 5.673 | Crippen Calculated Property | |
| McVol | 279.670 | ml/mol | McGowan Calculated Property |
| Pc | 1404.84 | kPa | Joback Calculated Property |
| Inp | [2509.00; 2550.00] |
|
|
| Inp | 2509.00 | NIST | |
| Inp | 2521.00 | NIST | |
| Inp | 2536.00 | NIST | |
| Inp | 2546.00 | NIST | |
| Inp | 2550.00 | NIST | |
| Inp | 2509.00 | NIST | |
| I | [3288.00; 3342.00] |
|
|
| I | 3288.00 | NIST | |
| I | 3326.00 | NIST | |
| I | 3341.00 | NIST | |
| I | 3342.00 | NIST | |
| I | 3288.00 | NIST | |
| Tboil | 893.91 | K | Joback Calculated Property |
| Tc | 1108.13 | K | Joback Calculated Property |
| Tfus | 558.60 | K | Joback Calculated Property |
| Vc | 1.097 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [890.06; 964.77] | J/mol×K | [893.91; 1108.13] |
|
| Cp,gas | 890.06 | J/mol×K | 893.91 | Joback Calculated Property |
| Cp,gas | 905.19 | J/mol×K | 929.61 | Joback Calculated Property |
| Cp,gas | 919.18 | J/mol×K | 965.32 | Joback Calculated Property |
| Cp,gas | 932.09 | J/mol×K | 1001.02 | Joback Calculated Property |
| Cp,gas | 943.96 | J/mol×K | 1036.72 | Joback Calculated Property |
| Cp,gas | 954.84 | J/mol×K | 1072.42 | Joback Calculated Property |
| Cp,gas | 964.77 | J/mol×K | 1108.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Nitrobenzoic acid, dodecyl ester.
Sources
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