- InChI
- InChI=1S/C14H19NO4/c1-2-3-4-5-6-7-14(16)19-13-10-8-12(9-11-13)15(17)18/h8-11H,2-7H2,1H3
- InChI Key
- GGIDEJQGAZSTES-UHFFFAOYSA-N
- Formula
- C14H19NO4
- SMILES
-
CCCCCCCC(=O)Oc1ccc([N+](=O)[O-
])cc1 - Molecular Weight1
- 265.31
- CAS
- 1956-10-1
- Other Names
-
- Octanoic acid, 4-nitrophenyl 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).
- 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° | -28.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -362.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.44 | kJ/mol | Joback Calculated Property |
| log10WS | -4.95 | Crippen Calculated Property | |
| logPoct/wat | 3.861 | Crippen Calculated Property | |
| McVol | 209.220 | ml/mol | McGowan Calculated Property |
| Pc | 2088.84 | kPa | Joback Calculated Property |
| Inp | [2063.00; 2063.00] |
|
|
| Inp | 2063.00 | NIST | |
| Inp | 2063.00 | NIST | |
| Tboil | 779.51 | K | Joback Calculated Property |
| Tc | 1000.99 | K | Joback Calculated Property |
| Tfus | 502.25 | K | Joback Calculated Property |
| Vc | 0.818 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [604.78; 674.02] | J/mol×K | [779.51; 1000.99] |
|
| Cp,gas | 604.78 | J/mol×K | 779.51 | Joback Calculated Property |
| Cp,gas | 618.77 | J/mol×K | 816.42 | Joback Calculated Property |
| Cp,gas | 631.73 | J/mol×K | 853.34 | Joback Calculated Property |
| Cp,gas | 643.71 | J/mol×K | 890.25 | Joback Calculated Property |
| Cp,gas | 654.73 | J/mol×K | 927.16 | Joback Calculated Property |
| Cp,gas | 664.82 | J/mol×K | 964.07 | Joback Calculated Property |
| Cp,gas | 674.02 | J/mol×K | 1000.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Nitrophenyl caprylate.
Sources
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