- InChI
- InChI=1S/C27H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-30-27(29)23-22-26(28)25-20-17-16-18-21-25/h16-18,20-21H,2-15,19,22-24H2,1H3
- InChI Key
- WPQLMCFXTSNXQM-UHFFFAOYSA-N
- Formula
- C27H44O3
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)CCC(=O)
c1ccccc1 - Molecular Weight1
- 416.64
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 1.1800 | Relay (1.0) Calculated Property | |
| ΔfG° | -73.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -792.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.064 | Crippen Calculated Property | |
| McVol | 376.540 | ml/mol | McGowan Calculated Property |
| Pc | 880.52 | kPa | Joback Calculated Property |
| Inp | 3240.00 | NIST | |
| Tboil | 681.01 | K | Relay (1.0) Calculated Property |
| Tc | 885.50 | K | Relay (1.0) Calculated Property |
| Tfus | 335.74 | K | Relay (1.0) Calculated Property |
| Vc | 1.428 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1276.84; 1369.23] | J/mol×K | [974.00; 1193.03] | 
|
| Cp,gas | 1276.84 | J/mol×K | 974.00 | Joback Calculated Property |
| Cp,gas | 1295.53 | J/mol×K | 1010.50 | Joback Calculated Property |
| Cp,gas | 1312.79 | J/mol×K | 1047.01 | Joback Calculated Property |
| Cp,gas | 1328.72 | J/mol×K | 1083.51 | Joback Calculated Property |
| Cp,gas | 1343.38 | J/mol×K | 1120.02 | Joback Calculated Property |
| Cp,gas | 1356.86 | J/mol×K | 1156.52 | Joback Calculated Property |
| Cp,gas | 1369.23 | J/mol×K | 1193.03 | Joback Calculated Property |
| η | [0.0000259; 0.0004516] | Pa×s | [542.56; 974.00] |
|
| η | 0.0004516 | Pa×s | 542.56 | Joback Calculated Property |
| η | 0.0002123 | Pa×s | 614.47 | Joback Calculated Property |
| η | 0.0001169 | Pa×s | 686.37 | Joback Calculated Property |
| η | 0.0000720 | Pa×s | 758.28 | Joback Calculated Property |
| η | 0.0000483 | Pa×s | 830.19 | Joback Calculated Property |
| η | 0.0000345 | Pa×s | 902.09 | Joback Calculated Property |
| η | 0.0000259 | Pa×s | 974.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Oxo-4-phenylbutyric acid, heptadecyl ester.
Sources
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