- InChI
- InChI=1S/C16H26O3/c1-12(9-10-14-16(3,4)19-14)7-6-8-13(2)11-15(17)18-5/h7,11,14H,6,8-10H2,1-5H3/b12-7+,13-11+
- InChI Key
- QVJMXSGZTCGLHZ-ZPLWXOMKSA-N
- Formula
- C16H26O3
- SMILES
-
COC(=O)C=C(C)CCC=C(C)CCC1OC1(C
)C - Molecular Weight1
- 266.38
- CAS
- 5299-11-6
- Other Names
-
- 2,6-Dodecadienoic acid, 10,11-epoxy-3,7,11-trimethyl-, methyl ester, (E,E)-
- trans-trans-10,11-Epoxyfarnesenic acid methyl ester
- Juvenate
- Juvenile hormone C16
- Methyl trans,trans-10,11-epoxyfarnesoate
- SJH I
- (E,E)-Methyl-10,11-epoxyfarnesoate
- 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 | 0.6116 | Relay (... Calculated Property | |
| ΔfG° | -45.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -596.09 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 38.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.82 | kJ/mol | Relay (... Calculated Property |
| IE | 8.52 | eV | Relay (... Calculated Property |
| log10WS | -3.35 | Relay (... Calculated Property | |
| logPoct/wat | 3.790 | Crippen Calculated Property | |
| McVol | 230.150 | ml/mol | McGowan Calculated Property |
| Pc | 1651.11 | kPa | Joback Calculated Property |
| Inp | [1867.00; 1867.00] |
|
|
| Inp | 1867.00 | NIST | |
| Inp | 1867.00 | NIST | |
| Tboil | 551.97 | K | Relay (... Calculated Property |
| Tc | 756.75 | K | Relay (... Calculated Property |
| Tfus | 269.27 | K | Relay (... Calculated Property |
| Vc | 0.830 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [651.71; 748.12] | J/mol×K | [679.11; 877.08] |
|
| Cp,gas | 651.71 | J/mol×K | 679.11 | Joback Calculated Property |
| Cp,gas | 669.25 | J/mol×K | 712.10 | Joback Calculated Property |
| Cp,gas | 686.03 | J/mol×K | 745.10 | Joback Calculated Property |
| Cp,gas | 702.19 | J/mol×K | 778.09 | Joback Calculated Property |
| Cp,gas | 717.84 | J/mol×K | 811.09 | Joback Calculated Property |
| Cp,gas | 733.11 | J/mol×K | 844.08 | Joback Calculated Property |
| Cp,gas | 748.12 | J/mol×K | 877.08 | Joback Calculated Property |
Similar Compounds
Sources
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