- InChI
- InChI=1S/C17H26O2/c1-11(10-19-14(4)18)9-15-7-5-12(2)16-8-6-13(3)17(15)16/h9,12,15-16H,5-8,10H2,1-4H3/b11-9-
- InChI Key
- GMTBKCJRMNJNFL-LUAWRHEFSA-N
- Formula
- C17H26O2
- SMILES
-
CC(=O)OCC(C)=CC1CCC(C)C2CCC(C)
=C12 - Molecular Weight1
- 262.39
- CAS
- 101527-78-0
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 18.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -389.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.28 | kJ/mol | Joback Calculated Property |
| log10WS | -4.57 | Crippen Calculated Property | |
| logPoct/wat | 4.268 | Crippen Calculated Property | |
| McVol | 227.510 | ml/mol | McGowan Calculated Property |
| Pc | 1681.03 | kPa | Joback Calculated Property |
| Inp | [1804.60; 1828.60] |
|
|
| Inp | 1804.60 | NIST | |
| Inp | 1828.60 | NIST | |
| Inp | 1804.60 | NIST | |
| Tboil | 699.43 | K | Joback Calculated Property |
| Tc | 911.60 | K | Joback Calculated Property |
| Tfus | 381.35 | K | Joback Calculated Property |
| Vc | 0.868 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [669.84; 774.33] | J/mol×K | [699.43; 911.60] |
|
| Cp,gas | 669.84 | J/mol×K | 699.43 | Joback Calculated Property |
| Cp,gas | 690.13 | J/mol×K | 734.79 | Joback Calculated Property |
| Cp,gas | 709.20 | J/mol×K | 770.15 | Joback Calculated Property |
| Cp,gas | 727.09 | J/mol×K | 805.51 | Joback Calculated Property |
| Cp,gas | 743.88 | J/mol×K | 840.88 | Joback Calculated Property |
| Cp,gas | 759.60 | J/mol×K | 876.24 | Joback Calculated Property |
| Cp,gas | 774.33 | J/mol×K | 911.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Valerenyl acetate.
Sources
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