- InChI
- InChI=1S/C19H30O2/c1-14(2)19(20)21-13-16(4)7-6-8-17(5)18-11-9-15(3)10-12-18/h7,9,11,14,17H,6,8,10,12-13H2,1-5H3/b16-7-/t17-/m0/s1
- InChI Key
- JAABKYCBTCTCDQ-UGIZUQJLSA-N
- Formula
- C19H30O2
- SMILES
-
CC1=CC=C(C(C)CCC=C(C)COC(=O)C(
C)C)CC1 - Molecular Weight1
- 290.44
- 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° | 14.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -416.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.95 | kJ/mol | Joback Calculated Property |
| log10WS | -5.61 | Crippen Calculated Property | |
| logPoct/wat | 5.215 | Crippen Calculated Property | |
| McVol | 262.250 | ml/mol | McGowan Calculated Property |
| Pc | 1431.55 | kPa | Joback Calculated Property |
| Inp | 1934.00 | NIST | |
| Tboil | 746.07 | K | Joback Calculated Property |
| Tc | 950.30 | K | Joback Calculated Property |
| Tfus | 365.19 | K | Joback Calculated Property |
| Vc | 0.999 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [770.30; 868.47] | J/mol×K | [746.07; 950.30] | 
|
| Cp,gas | 770.30 | J/mol×K | 746.07 | Joback Calculated Property |
| Cp,gas | 789.36 | J/mol×K | 780.11 | Joback Calculated Property |
| Cp,gas | 807.27 | J/mol×K | 814.15 | Joback Calculated Property |
| Cp,gas | 824.10 | J/mol×K | 848.19 | Joback Calculated Property |
| Cp,gas | 839.87 | J/mol×K | 882.23 | Joback Calculated Property |
| Cp,gas | 854.65 | J/mol×K | 916.26 | Joback Calculated Property |
| Cp,gas | 868.47 | J/mol×K | 950.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-«gamma»-Curcumen-12-yl isobutyrate.
Sources
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