- InChI
- InChI=1S/C17H26O3/c1-13(2)16-8-11-17(5,20-16)10-6-7-14(3)9-12-19-15(4)18/h6,9-10,16H,1,7-8,11-12H2,2-5H3/b10-6+,14-9+
- InChI Key
- UJWIEJULEWRZEG-WNUTZXNYSA-N
- Formula
- C17H26O3
- SMILES
-
C=C(C)C1CCC(C)(C=CCC(C)=CCOC(C
)=O)O1 - Molecular Weight1
- 278.39
- 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 | 0.5106 | Relay (1.0) Calculated Property | |
| ΔfG° | 26.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -587.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.956 | Crippen Calculated Property | |
| McVol | 239.940 | ml/mol | McGowan Calculated Property |
| Pc | 1645.76 | kPa | Joback Calculated Property |
| Inp | 1816.00 | NIST | |
| Tboil | 574.25 | K | Relay (1.0) Calculated Property |
| Tc | 754.51 | K | Relay (1.0) Calculated Property |
| Tfus | 261.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.835 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [688.97; 792.73] | J/mol×K | [707.21; 917.20] | 
|
| Cp,gas | 688.97 | J/mol×K | 707.21 | Joback Calculated Property |
| Cp,gas | 707.92 | J/mol×K | 742.21 | Joback Calculated Property |
| Cp,gas | 726.02 | J/mol×K | 777.21 | Joback Calculated Property |
| Cp,gas | 743.41 | J/mol×K | 812.21 | Joback Calculated Property |
| Cp,gas | 760.23 | J/mol×K | 847.20 | Joback Calculated Property |
| Cp,gas | 776.62 | J/mol×K | 882.20 | Joback Calculated Property |
| Cp,gas | 792.73 | J/mol×K | 917.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E, E)-3,7,11-Trimethyl-7,10-epoxydodeca-2,5,11-trien-1-yl acetate.
Sources
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