- InChI
- InChI=1S/C22H24O5/c1-17(2)13-14-25-21(23)11-12-22(24)26-16-18-7-6-10-20(15-18)27-19-8-4-3-5-9-19/h3-10,13,15H,11-12,14,16H2,1-2H3
- InChI Key
- AQHZRQQUNYLAGC-UHFFFAOYSA-N
- Formula
- C22H24O5
- SMILES
-
CC(C)=CCOC(=O)CCC(=O)OCc1cccc(
Oc2ccccc2)c1 - Molecular Weight1
- 368.42
- 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° | -151.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -550.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.54 | kJ/mol | Joback Calculated Property |
| log10WS | -5.33 | Crippen Calculated Property | |
| logPoct/wat | 4.812 | Crippen Calculated Property | |
| McVol | 289.770 | ml/mol | McGowan Calculated Property |
| Pc | 1536.66 | kPa | Joback Calculated Property |
| Inp | 2763.00 | NIST | |
| Tboil | 940.14 | K | Joback Calculated Property |
| Tc | 1168.62 | K | Joback Calculated Property |
| Tfus | 550.57 | K | Joback Calculated Property |
| Vc | 1.099 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [896.53; 957.48] | J/mol×K | [940.14; 1168.62] | 
|
| Cp,gas | 896.53 | J/mol×K | 940.14 | Joback Calculated Property |
| Cp,gas | 909.89 | J/mol×K | 978.22 | Joback Calculated Property |
| Cp,gas | 921.91 | J/mol×K | 1016.30 | Joback Calculated Property |
| Cp,gas | 932.63 | J/mol×K | 1054.38 | Joback Calculated Property |
| Cp,gas | 942.10 | J/mol×K | 1092.46 | Joback Calculated Property |
| Cp,gas | 950.37 | J/mol×K | 1130.54 | Joback Calculated Property |
| Cp,gas | 957.48 | J/mol×K | 1168.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3-methylbut-2-en-1-yl 3-phenoxybenzyl ester.
Sources
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