- InChI
- InChI=1S/C20H32O2/c1-6-17(4)20(21)22-14-16(3)8-7-9-18(5)19-12-10-15(2)11-13-19/h8,10,12,17-18H,6-7,9,11,13-14H2,1-5H3/b16-8-/t17?,18-/m0/s1
- InChI Key
- RASDHGWJDPAGMV-XYODZVPOSA-N
- Formula
- C20H32O2
- SMILES
-
CCC(C)C(=O)OCC(C)=CCCC(C)C1=CC
=C(C)CC1 - Molecular Weight1
- 304.47
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6085 | Relay (1.0) Calculated Property | |
| ΔfG° | 23.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -518.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.605 | Crippen Calculated Property | |
| McVol | 276.340 | ml/mol | McGowan Calculated Property |
| Pc | 1332.96 | kPa | Joback Calculated Property |
| Inp | [2025.00; 2025.00] |
|
|
| Inp | 2025.00 | NIST | |
| Inp | 2025.00 | NIST | |
| Tboil | 583.89 | K | Relay (1.0) Calculated Property |
| Tc | 791.37 | K | Relay (1.0) Calculated Property |
| Tfus | 274.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.968 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [828.63; 927.59] | J/mol×K | [768.95; 971.56] |
|
| Cp,gas | 828.63 | J/mol×K | 768.95 | Joback Calculated Property |
| Cp,gas | 847.83 | J/mol×K | 802.72 | Joback Calculated Property |
| Cp,gas | 865.89 | J/mol×K | 836.49 | Joback Calculated Property |
| Cp,gas | 882.85 | J/mol×K | 870.25 | Joback Calculated Property |
| Cp,gas | 898.75 | J/mol×K | 904.02 | Joback Calculated Property |
| Cp,gas | 913.65 | J/mol×K | 937.79 | Joback Calculated Property |
| Cp,gas | 927.59 | J/mol×K | 971.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-«gamma»-Curcumen-12-yl 2-methylbutyrate.
Sources
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