- InChI
- InChI=1S/C23H36O3/c1-2-3-4-5-6-7-8-9-10-11-15-20-26-23(25)19-18-22(24)21-16-13-12-14-17-21/h12-14,16-17H,2-11,15,18-20H2,1H3
- InChI Key
- OJVFWWBKOTVKAK-UHFFFAOYSA-N
- Formula
- C23H36O3
- SMILES
-
CCCCCCCCCCCCCOC(=O)CCC(=O)c1cc
ccc1 - Molecular Weight1
- 360.53
- 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).
- 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° | -107.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -638.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.97 | kJ/mol | Joback Calculated Property |
| log10WS | -7.27 | Crippen Calculated Property | |
| logPoct/wat | 6.504 | Crippen Calculated Property | |
| McVol | 320.180 | ml/mol | McGowan Calculated Property |
| Pc | 1121.55 | kPa | Joback Calculated Property |
| Inp | [2820.00; 2820.00] |
|
|
| Inp | 2820.00 | NIST | |
| Inp | 2820.00 | NIST | |
| Tboil | 882.48 | K | Joback Calculated Property |
| Tc | 1084.52 | K | Joback Calculated Property |
| Tfus | 497.48 | K | Joback Calculated Property |
| Vc | 1.246 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1028.31; 1115.88] | J/mol×K | [882.48; 1084.52] |
|
| Cp,gas | 1028.31 | J/mol×K | 882.48 | Joback Calculated Property |
| Cp,gas | 1045.69 | J/mol×K | 916.15 | Joback Calculated Property |
| Cp,gas | 1061.88 | J/mol×K | 949.83 | Joback Calculated Property |
| Cp,gas | 1076.95 | J/mol×K | 983.50 | Joback Calculated Property |
| Cp,gas | 1090.94 | J/mol×K | 1017.17 | Joback Calculated Property |
| Cp,gas | 1103.90 | J/mol×K | 1050.85 | Joback Calculated Property |
| Cp,gas | 1115.88 | J/mol×K | 1084.52 | Joback Calculated Property |
| η | [0.0000471; 0.0007291] | Pa×s | [497.48; 882.48] |
|
| η | 0.0007291 | Pa×s | 497.48 | Joback Calculated Property |
| η | 0.0003558 | Pa×s | 561.65 | Joback Calculated Property |
| η | 0.0002011 | Pa×s | 625.81 | Joback Calculated Property |
| η | 0.0001264 | Pa×s | 689.98 | Joback Calculated Property |
| η | 0.0000860 | Pa×s | 754.15 | Joback Calculated Property |
| η | 0.0000622 | Pa×s | 818.31 | Joback Calculated Property |
| η | 0.0000471 | Pa×s | 882.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Oxo-4-phenylbutyric acid, tridecyl ester.
Sources
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