- InChI
- InChI=1S/C20H32O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,9-10,16,21H,1,8,11-14H2,2-6H3/b15-9+,17-10-/t16-,19-,20+/m0/s1
- InChI Key
- UUDIFKILZHQUQI-NAINOWQMSA-N
- Formula
- C20H32O
- SMILES
-
C=CC(C)=CC=C1C(C)(O)CCC2C(C)(C
)CCCC12C - Molecular Weight1
- 288.47
- 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° | 226.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -173.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.39 | kJ/mol | Joback Calculated Property |
| log10WS | -6.20 | Crippen Calculated Property | |
| logPoct/wat | 5.422 | Crippen Calculated Property | |
| McVol | 263.910 | ml/mol | McGowan Calculated Property |
| Pc | 1614.17 | kPa | Joback Calculated Property |
| Inp | [2347.00; 2347.00] |
|
|
| Inp | 2347.00 | NIST | |
| Inp | 2347.00 | NIST | |
| Tboil | 778.48 | K | Joback Calculated Property |
| Tc | 995.75 | K | Joback Calculated Property |
| Tfus | 450.56 | K | Joback Calculated Property |
| Vc | 0.994 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [828.88; 975.07] | J/mol×K | [778.48; 995.75] |
|
| Cp,gas | 828.88 | J/mol×K | 778.48 | Joback Calculated Property |
| Cp,gas | 851.63 | J/mol×K | 814.69 | Joback Calculated Property |
| Cp,gas | 874.56 | J/mol×K | 850.90 | Joback Calculated Property |
| Cp,gas | 898.02 | J/mol×K | 887.12 | Joback Calculated Property |
| Cp,gas | 922.36 | J/mol×K | 923.33 | Joback Calculated Property |
| Cp,gas | 947.93 | J/mol×K | 959.54 | Joback Calculated Property |
| Cp,gas | 975.07 | J/mol×K | 995.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dehydroabienol.
Sources
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