- InChI
- InChI=1S/C16H24O3/c1-12(2)15(17)10-9-13(3)7-6-8-14(4)11-16(18)19-5/h7,11H,1,6,8-10H2,2-5H3/b13-7+,14-11+
- InChI Key
- GDSCSZUNCRRICU-FYCHQBGDSA-N
- Formula
- C16H24O3
- SMILES
-
C=C(C)C(=O)CCC(C)=CCCC(C)=CC(=
O)OC - Molecular Weight1
- 264.36
- 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 | 0.6527 | Relay (... Calculated Property | |
| ΔfG° | -56.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -552.00 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 36.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.66 | kJ/mol | Relay (... Calculated Property |
| IE | 8.80 | eV | Relay (... Calculated Property |
| log10WS | -3.57 | Relay (... Calculated Property | |
| logPoct/wat | 3.758 | Crippen Calculated Property | |
| McVol | 232.410 | ml/mol | McGowan Calculated Property |
| Pc | 1620.68 | kPa | Joback Calculated Property |
| Inp | [1895.00; 1895.00] |
|
|
| Inp | 1895.00 | NIST | |
| Inp | 1895.00 | NIST | |
| Tboil | 556.57 | K | Relay (... Calculated Property |
| Tc | 753.02 | K | Relay (... Calculated Property |
| Tfus | 277.57 | K | Relay (... Calculated Property |
| Vc | 0.821 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [633.30; 716.10] | J/mol×K | [700.28; 895.05] |
|
| Cp,gas | 633.30 | J/mol×K | 700.28 | Joback Calculated Property |
| Cp,gas | 649.07 | J/mol×K | 732.74 | Joback Calculated Property |
| Cp,gas | 664.00 | J/mol×K | 765.20 | Joback Calculated Property |
| Cp,gas | 678.11 | J/mol×K | 797.66 | Joback Calculated Property |
| Cp,gas | 691.47 | J/mol×K | 830.12 | Joback Calculated Property |
| Cp,gas | 704.12 | J/mol×K | 862.58 | Joback Calculated Property |
| Cp,gas | 716.10 | J/mol×K | 895.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (2E,6E)-Methyl-3,7,11-trimethyl-10-oxododecadienoate.
Sources
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