- InChI
- InChI=1S/C16H23NO4/c1-2-3-4-5-6-7-8-13-21-16(18)14-9-11-15(12-10-14)17(19)20/h9-12H,2-8,13H2,1H3
- InChI Key
- VCWKTBZKTLGBGP-UHFFFAOYSA-N
- Formula
- C16H23NO4
- SMILES
-
CCCCCCCCCOC(=O)c1ccc([N+](=O)[
O-])cc1 - Molecular Weight1
- 293.36
- CAS
- 6500-27-2
- Other Names
-
- nonyl 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° | -11.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -404.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.89 | kJ/mol | Joback Calculated Property |
| log10WS | -5.71 | Crippen Calculated Property | |
| logPoct/wat | 4.502 | Crippen Calculated Property | |
| McVol | 237.400 | ml/mol | McGowan Calculated Property |
| Pc | 1765.41 | kPa | Joback Calculated Property |
| Inp | [2200.00; 2241.00] |
|
|
| Inp | 2200.00 | NIST | |
| Inp | 2208.00 | NIST | |
| Inp | 2220.00 | NIST | |
| Inp | 2232.00 | NIST | |
| Inp | 2241.00 | NIST | |
| Inp | 2227.00 | NIST | |
| Inp | 2200.00 | NIST | |
| Inp | 2227.00 | NIST | |
| I | [2979.00; 3029.00] |
|
|
| I | 2979.00 | NIST | |
| I | 3014.00 | NIST | |
| I | 3029.00 | NIST | |
| I | 3021.00 | NIST | |
| I | 3021.00 | NIST | |
| I | 2979.00 | NIST | |
| Tboil | 825.27 | K | Joback Calculated Property |
| Tc | 1041.92 | K | Joback Calculated Property |
| Tfus | 524.79 | K | Joback Calculated Property |
| Vc | 0.929 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [716.23; 788.18] | J/mol×K | [825.27; 1041.92] |
|
| Cp,gas | 716.23 | J/mol×K | 825.27 | Joback Calculated Property |
| Cp,gas | 730.76 | J/mol×K | 861.38 | Joback Calculated Property |
| Cp,gas | 744.22 | J/mol×K | 897.49 | Joback Calculated Property |
| Cp,gas | 756.65 | J/mol×K | 933.60 | Joback Calculated Property |
| Cp,gas | 768.10 | J/mol×K | 969.71 | Joback Calculated Property |
| Cp,gas | 778.60 | J/mol×K | 1005.82 | Joback Calculated Property |
| Cp,gas | 788.18 | J/mol×K | 1041.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Nitrobenzoic acid, nonyl ester.
Sources
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