- InChI
- InChI=1S/C20H34O/c1-14(2)7-6-8-15(3)17-11-12-20(5,21)19-10-9-16(4)18(19)13-17/h7,16-19,21H,3,6,8-13H2,1-2,4-5H3/t16-,17-,18?,19?,20+/m0/s1
- InChI Key
- DOGQNYXCCXBVMX-UILHHMQZSA-N
- Formula
- C20H34O
- SMILES
-
C=C(CCC=C(C)C)C1CCC(C)(O)C2CCC
(C)C2C1 - 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 | 0.5973 | Relay (1.0) Calculated Property | |
| ΔfG° | 176.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -367.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.502 | Crippen Calculated Property | |
| McVol | 268.210 | ml/mol | McGowan Calculated Property |
| Pc | 1439.16 | kPa | Joback Calculated Property |
| Inp | [2102.00; 2102.00] |
|
|
| Inp | 2102.00 | NIST | |
| Inp | 2102.00 | NIST | |
| Tboil | 627.98 | K | Relay (1.0) Calculated Property |
| Tc | 839.08 | K | Relay (1.0) Calculated Property |
| Tfus | 347.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.925 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [865.85; 987.65] | J/mol×K | [766.57; 970.29] |
|
| Cp,gas | 865.85 | J/mol×K | 766.57 | Joback Calculated Property |
| Cp,gas | 887.94 | J/mol×K | 800.52 | Joback Calculated Property |
| Cp,gas | 909.13 | J/mol×K | 834.48 | Joback Calculated Property |
| Cp,gas | 929.56 | J/mol×K | 868.43 | Joback Calculated Property |
| Cp,gas | 949.36 | J/mol×K | 902.38 | Joback Calculated Property |
| Cp,gas | 968.68 | J/mol×K | 936.34 | Joback Calculated Property |
| Cp,gas | 987.65 | J/mol×K | 970.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (+)-(1R*,4S*,5S*,7S*,10S*)-viticulol.
Sources
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