- InChI
- InChI=1S/C17H26O2/c1-11-15-6-5-14(10-19-12(2)18)17(15)8-7-13(9-17)16(11,3)4/h13-15H,1,5-10H2,2-4H3/t13-,14-,15?,17+/m0/s1
- InChI Key
- BSDFLYIGEBAWIU-IAPOVROPSA-N
- Formula
- C17H26O2
- SMILES
-
C=C1C2CCC(COC(C)=O)C23CCC(C3)C
1(C)C - Molecular Weight1
- 262.39
- 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 | 0.4451 | Relay (1.0) Calculated Property | |
| ΔfG° | 43.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -432.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.958 | Crippen Calculated Property | |
| McVol | 220.950 | ml/mol | McGowan Calculated Property |
| Pc | 1856.31 | kPa | Joback Calculated Property |
| Inp | 1828.00 | NIST | |
| Tboil | 581.27 | K | Relay (1.0) Calculated Property |
| Tc | 827.47 | K | Relay (1.0) Calculated Property |
| Tfus | 374.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.774 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [667.96; 788.29] | J/mol×K | [683.71; 903.97] | 
|
| Cp,gas | 667.96 | J/mol×K | 683.71 | Joback Calculated Property |
| Cp,gas | 689.22 | J/mol×K | 720.42 | Joback Calculated Property |
| Cp,gas | 709.66 | J/mol×K | 757.13 | Joback Calculated Property |
| Cp,gas | 729.52 | J/mol×K | 793.84 | Joback Calculated Property |
| Cp,gas | 749.07 | J/mol×K | 830.55 | Joback Calculated Property |
| Cp,gas | 768.58 | J/mol×K | 867.26 | Joback Calculated Property |
| Cp,gas | 788.29 | J/mol×K | 903.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ziza-6(13)-en-12-yl acetate.
Sources
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