- InChI
- InChI=1S/C17H26O2/c1-12(11-19-14(3)18)15-8-9-16-7-5-6-13(2)17(16,4)10-15/h7,13H,5-6,8-11H2,1-4H3/b15-12+
- InChI Key
- PAGIZIHMWSSCEF-NTCAYCPXSA-N
- Formula
- C17H26O2
- SMILES
-
CC(=O)OCC(C)=C1CCC2=CCCC(C)C2(
C)C1 - Molecular Weight1
- 262.39
- CAS
- 352461-71-3
- 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.
- I : 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 | 0.4433 | Relay (1.0) Calculated Property | |
| ΔfG° | -16.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -415.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.412 | Crippen Calculated Property | |
| McVol | 227.510 | ml/mol | McGowan Calculated Property |
| Pc | 1820.06 | kPa | Joback Calculated Property |
| Inp | [1861.40; 1869.00] |
|
|
| Inp | 1861.40 | NIST | |
| Inp | 1869.00 | NIST | |
| Inp | 1861.40 | NIST | |
| Inp | 1869.00 | NIST | |
| I | [2422.00; 2422.00] |
|
|
| I | 2422.00 | NIST | |
| I | 2422.00 | NIST | |
| Tboil | 580.00 | K | Relay (1.0) Calculated Property |
| Tc | 794.16 | K | Relay (1.0) Calculated Property |
| Tfus | 349.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.771 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [665.65; 777.02] | J/mol×K | [706.11; 928.60] |
|
| Cp,gas | 665.65 | J/mol×K | 706.11 | Joback Calculated Property |
| Cp,gas | 686.23 | J/mol×K | 743.19 | Joback Calculated Property |
| Cp,gas | 705.80 | J/mol×K | 780.27 | Joback Calculated Property |
| Cp,gas | 724.52 | J/mol×K | 817.36 | Joback Calculated Property |
| Cp,gas | 742.53 | J/mol×K | 854.44 | Joback Calculated Property |
| Cp,gas | 759.98 | J/mol×K | 891.52 | Joback Calculated Property |
| Cp,gas | 777.02 | J/mol×K | 928.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-Eremophila-1(10),7(11)-dien-12-yl acetate.
Sources
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