- InChI
- InChI=1S/C21H32O3/c1-2-3-4-5-6-7-8-9-13-18-24-21(23)17-16-20(22)19-14-11-10-12-15-19/h10-12,14-15H,2-9,13,16-18H2,1H3
- InChI Key
- JRVCOCYSYOGYPV-UHFFFAOYSA-N
- Formula
- C21H32O3
- SMILES
-
CCCCCCCCCCCOC(=O)CCC(=O)c1cccc
c1 - Molecular Weight1
- 332.48
- 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° | -124.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -597.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.52 | kJ/mol | Joback Calculated Property |
| log10WS | -6.44 | Crippen Calculated Property | |
| logPoct/wat | 5.724 | Crippen Calculated Property | |
| McVol | 292.000 | ml/mol | McGowan Calculated Property |
| Pc | 1280.99 | kPa | Joback Calculated Property |
| Inp | 2614.00 | NIST | |
| Tboil | 836.72 | K | Joback Calculated Property |
| Tc | 1035.46 | K | Joback Calculated Property |
| Tfus | 474.94 | K | Joback Calculated Property |
| Vc | 1.133 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [907.80; 993.41] | J/mol×K | [836.72; 1035.46] | 
|
| Cp,gas | 907.80 | J/mol×K | 836.72 | Joback Calculated Property |
| Cp,gas | 924.69 | J/mol×K | 869.84 | Joback Calculated Property |
| Cp,gas | 940.47 | J/mol×K | 902.97 | Joback Calculated Property |
| Cp,gas | 955.19 | J/mol×K | 936.09 | Joback Calculated Property |
| Cp,gas | 968.89 | J/mol×K | 969.22 | Joback Calculated Property |
| Cp,gas | 981.62 | J/mol×K | 1002.34 | Joback Calculated Property |
| Cp,gas | 993.41 | J/mol×K | 1035.46 | Joback Calculated Property |
| η | [0.0000627; 0.0009071] | Pa×s | [474.94; 836.72] |
|
| η | 0.0009071 | Pa×s | 474.94 | Joback Calculated Property |
| η | 0.0004521 | Pa×s | 535.24 | Joback Calculated Property |
| η | 0.0002595 | Pa×s | 595.53 | Joback Calculated Property |
| η | 0.0001649 | Pa×s | 655.83 | Joback Calculated Property |
| η | 0.0001131 | Pa×s | 716.13 | Joback Calculated Property |
| η | 0.0000823 | Pa×s | 776.42 | Joback Calculated Property |
| η | 0.0000627 | Pa×s | 836.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Oxo-4-phenylbutyric acid, undecyl ester.
Sources
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