- InChI
- InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(24)27-21-18-16-20(17-19-21)23(25)26/h16-19H,2-15H2,1H3
- InChI Key
- LVZSQWIWCANHPF-UHFFFAOYSA-N
- Formula
- C22H35NO4
- SMILES
-
CCCCCCCCCCCCCCCC(=O)Oc1ccc([N+
](=O)[O-])cc1 - Molecular Weight1
- 377.52
- CAS
- 1492-30-4
- Other Names
-
- 4-nitrophenyl palmitate
- 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° | 38.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -527.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.25 | kJ/mol | Joback Calculated Property |
| log10WS | -8.30 | Crippen Calculated Property | |
| logPoct/wat | 6.982 | Crippen Calculated Property | |
| McVol | 321.940 | ml/mol | McGowan Calculated Property |
| Pc | 1144.44 | kPa | Joback Calculated Property |
| Tboil | 962.55 | K | Joback Calculated Property |
| Tc | 1181.22 | K | Joback Calculated Property |
| Tfus | 592.41 | K | Joback Calculated Property |
| Vc | 1.266 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1070.37; 1147.40] | J/mol×K | [962.55; 1181.22] | 
|
| Cp,gas | 1070.37 | J/mol×K | 962.55 | Joback Calculated Property |
| Cp,gas | 1086.10 | J/mol×K | 998.99 | Joback Calculated Property |
| Cp,gas | 1100.59 | J/mol×K | 1035.44 | Joback Calculated Property |
| Cp,gas | 1113.90 | J/mol×K | 1071.88 | Joback Calculated Property |
| Cp,gas | 1126.10 | J/mol×K | 1108.33 | Joback Calculated Property |
| Cp,gas | 1137.25 | J/mol×K | 1144.77 | Joback Calculated Property |
| Cp,gas | 1147.40 | J/mol×K | 1181.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexadecanoic acid, 4-nitrophenyl ester.
Sources
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