- InChI
- InChI=1S/C15H26O2/c1-6-15(5)10-9-14(17-15)12(4)13(16)8-7-11(2)3/h6-7,12-14,16H,1,8-10H2,2-5H3/t12?,13?,14-,15-/m1/s1
- InChI Key
- XDDCIEBLDYBJNU-NEXFUWMNSA-N
- Formula
- C15H26O2
- SMILES
-
C=CC1(C)CCC(C(C)C(O)CC=C(C)C)O
1 - Molecular Weight1
- 238.37
- 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° | 30.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -359.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.56 | kJ/mol | Joback Calculated Property |
| log10WS | -4.15 | Crippen Calculated Property | |
| logPoct/wat | 3.463 | Crippen Calculated Property | |
| McVol | 214.490 | ml/mol | McGowan Calculated Property |
| Pc | 1944.08 | kPa | Joback Calculated Property |
| Inp | 1591.00 | NIST | |
| Tboil | 672.42 | K | Joback Calculated Property |
| Tc | 868.02 | K | Joback Calculated Property |
| Tfus | 325.96 | K | Joback Calculated Property |
| Vc | 0.803 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [617.62; 712.67] | J/mol×K | [672.42; 868.02] | 
|
| Cp,gas | 617.62 | J/mol×K | 672.42 | Joback Calculated Property |
| Cp,gas | 635.10 | J/mol×K | 705.02 | Joback Calculated Property |
| Cp,gas | 651.78 | J/mol×K | 737.62 | Joback Calculated Property |
| Cp,gas | 667.76 | J/mol×K | 770.22 | Joback Calculated Property |
| Cp,gas | 683.16 | J/mol×K | 802.82 | Joback Calculated Property |
| Cp,gas | 698.09 | J/mol×K | 835.42 | Joback Calculated Property |
| Cp,gas | 712.67 | J/mol×K | 868.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Davanol (isomer).
Sources
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