- InChI
- InChI=1S/C20H28O2/c1-14-6-9-17-19(2,3)11-5-12-20(17,4)16(14)8-7-15-10-13-22-18(15)21/h7-8,10,16-17H,1,5-6,9,11-13H2,2-4H3/b8-7+
- InChI Key
- HVTQZHAAIRBKHO-BQYQJAHWSA-N
- Formula
- C20H28O2
- SMILES
-
C=C1CCC2C(C)(C)CCCC2(C)C1C=CC1
=CCOC1=O - Molecular Weight1
- 300.44
- CAS
- 160598-92-5
- 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° | 153.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -286.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.10 | kJ/mol | Joback Calculated Property |
| log10WS | -5.34 | Crippen Calculated Property | |
| logPoct/wat | 4.825 | Crippen Calculated Property | |
| McVol | 254.620 | ml/mol | McGowan Calculated Property |
| Pc | 1703.31 | kPa | Joback Calculated Property |
| Inp | [2575.10; 2575.10] |
|
|
| Inp | 2575.10 | NIST | |
| Inp | 2575.10 | NIST | |
| Tboil | 800.88 | K | Joback Calculated Property |
| Tc | 1051.80 | K | Joback Calculated Property |
| Tfus | 508.09 | K | Joback Calculated Property |
| Vc | 0.952 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [824.86; 977.04] | J/mol×K | [800.88; 1051.80] |
|
| Cp,gas | 824.86 | J/mol×K | 800.88 | Joback Calculated Property |
| Cp,gas | 850.08 | J/mol×K | 842.70 | Joback Calculated Property |
| Cp,gas | 874.89 | J/mol×K | 884.52 | Joback Calculated Property |
| Cp,gas | 899.65 | J/mol×K | 926.34 | Joback Calculated Property |
| Cp,gas | 924.69 | J/mol×K | 968.16 | Joback Calculated Property |
| Cp,gas | 950.37 | J/mol×K | 1009.98 | Joback Calculated Property |
| Cp,gas | 977.04 | J/mol×K | 1051.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Villosin.
Sources
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