- InChI
- InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,16-17,21H,1-2,8-14H2,3-6H3/t16-,17?,19-,20+/m0/s1
- InChI Key
- JTWQQJDENGGSBJ-KOQQBVACSA-N
- Formula
- C20H34O
- SMILES
-
C=CC(=C)CCC1C(C)(O)CCC2C(C)(C)
CCCC21C - Molecular Weight1
- 290.48
- 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 | 0.6039 | Relay (... Calculated Property | |
| ΔfG° | 181.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -315.32 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 19.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.07 | kJ/mol | Relay (... Calculated Property |
| IE | 8.52 | eV | Relay (... Calculated Property |
| log10WS | -4.70 | Relay (... Calculated Property | |
| logPoct/wat | 5.502 | Crippen Calculated Property | |
| McVol | 268.210 | ml/mol | McGowan Calculated Property |
| Pc | 1524.69 | kPa | Joback Calculated Property |
| Inp | [1773.00; 1786.00] |
|
|
| Inp | 1773.00 | NIST | |
| Inp | 1786.00 | NIST | |
| Inp | 1786.00 | NIST | |
| Inp | 1773.00 | NIST | |
| Tboil | 614.75 | K | Relay (... Calculated Property |
| Tc | 846.66 | K | Relay (... Calculated Property |
| Tfus | 344.82 | K | Relay (... Calculated Property |
| Vc | 0.918 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [854.43; 996.99] | J/mol×K | [759.69; 968.49] |
|
| Cp,gas | 854.43 | J/mol×K | 759.69 | Joback Calculated Property |
| Cp,gas | 877.58 | J/mol×K | 794.49 | Joback Calculated Property |
| Cp,gas | 900.58 | J/mol×K | 829.29 | Joback Calculated Property |
| Cp,gas | 923.73 | J/mol×K | 864.09 | Joback Calculated Property |
| Cp,gas | 947.32 | J/mol×K | 898.89 | Joback Calculated Property |
| Cp,gas | 971.64 | J/mol×K | 933.69 | Joback Calculated Property |
| Cp,gas | 996.99 | J/mol×K | 968.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-Isovalencenol.
Sources
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