- InChI
- InChI=1S/C20H34O2/c1-15(2)18-10-9-16(3)7-6-8-17(4)13-19(21)14-20(5,22)12-11-18/h7,11-13,15,18-19,21-22H,6,8-10,14H2,1-5H3/b12-11-,16-7-,17-13-
- InChI Key
- RIVKDDXPCFBMOV-KEBCYCLUSA-N
- Formula
- C20H34O2
- SMILES
-
CC1=CC(O)CC(C)(O)C=CC(C(C)C)CC
C(C)=CCC1 - Molecular Weight1
- 306.48
- CAS
- 7220-78-2
- Other Names
-
- FW 306
- 4,8,13-Duvatriene-1,3-Diol
- 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).
- I : 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° | -181.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -635.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.32 | kJ/mol | Joback Calculated Property |
| log10WS | -5.92 | Crippen Calculated Property | |
| logPoct/wat | 4.783 | Crippen Calculated Property | |
| McVol | 280.640 | ml/mol | McGowan Calculated Property |
| Pc | 1620.68 | kPa | Joback Calculated Property |
| I | [2955.00; 2955.00] |
|
|
| I | 2955.00 | NIST | |
| I | 2955.00 | NIST | |
| Tboil | 892.97 | K | Joback Calculated Property |
| Tc | 1108.91 | K | Joback Calculated Property |
| Tfus | 443.76 | K | Joback Calculated Property |
| Vc | 1.010 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [954.41; 1054.55] | J/mol×K | [892.97; 1108.91] |
|
| Cp,gas | 954.41 | J/mol×K | 892.97 | Joback Calculated Property |
| Cp,gas | 973.95 | J/mol×K | 928.96 | Joback Calculated Property |
| Cp,gas | 992.27 | J/mol×K | 964.95 | Joback Calculated Property |
| Cp,gas | 1009.43 | J/mol×K | 1000.94 | Joback Calculated Property |
| Cp,gas | 1025.49 | J/mol×K | 1036.93 | Joback Calculated Property |
| Cp,gas | 1040.51 | J/mol×K | 1072.92 | Joback Calculated Property |
| Cp,gas | 1054.55 | J/mol×K | 1108.91 | Joback Calculated Property |
Similar Compounds
Sources
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