- InChI
- InChI=1S/C20H30O3/c1-7-13(4)18(21)22-20-10-14(5)16-9-8-15(6)19(16,23-20)11-17(20)12(2)3/h13,15-16H,5,7-11H2,1-4,6H3/t13?,15-,16?,19-,20?/m1/s1
- InChI Key
- WUHNNBNJYUGWOM-IKWVQECISA-N
- Formula
- C20H30O3
- SMILES
-
C=C1CC2(OC(=O)C(C)CC)OC3(CC2=C
(C)C)C(C)CCC13 - Molecular Weight1
- 318.45
- 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° | 24.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -471.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.89 | kJ/mol | Joback Calculated Property |
| log10WS | -5.53 | Crippen Calculated Property | |
| logPoct/wat | 4.774 | Crippen Calculated Property | |
| McVol | 264.790 | ml/mol | McGowan Calculated Property |
| Pc | 1546.35 | kPa | Joback Calculated Property |
| Inp | 1902.00 | NIST | |
| Tboil | 790.05 | K | Joback Calculated Property |
| Tc | 1010.84 | K | Joback Calculated Property |
| Tfus | 499.31 | K | Joback Calculated Property |
| Vc | 1.012 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [849.75; 983.77] | J/mol×K | [790.05; 1010.84] | 
|
| Cp,gas | 849.75 | J/mol×K | 790.05 | Joback Calculated Property |
| Cp,gas | 871.59 | J/mol×K | 826.85 | Joback Calculated Property |
| Cp,gas | 893.26 | J/mol×K | 863.65 | Joback Calculated Property |
| Cp,gas | 915.04 | J/mol×K | 900.45 | Joback Calculated Property |
| Cp,gas | 937.19 | J/mol×K | 937.25 | Joback Calculated Property |
| Cp,gas | 960.01 | J/mol×K | 974.04 | Joback Calculated Property |
| Cp,gas | 983.77 | J/mol×K | 1010.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-«gamma»-Curcumyl 2-methylbutanoate.
Sources
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