- InChI
- InChI=1S/C15H24O3/c1-6-15(5)10-8-13(18-15)11(2)12(16)7-9-14(3,4)17/h6-7,9,11,13,17H,1,8,10H2,2-5H3/b9-7+/t11?,13-,15-/m1/s1
- InChI Key
- WQUKMIHCFQFPQG-AJPPRRINSA-N
- Formula
- C15H24O3
- SMILES
-
C=CC1(C)CCC(C(C)C(=O)C=CC(C)(C
)O)O1 - Molecular Weight1
- 252.35
- 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° | -84.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -465.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.32 | kJ/mol | Joback Calculated Property |
| log10WS | -3.43 | Crippen Calculated Property | |
| logPoct/wat | 2.642 | Crippen Calculated Property | |
| McVol | 216.060 | ml/mol | McGowan Calculated Property |
| Pc | 2068.00 | kPa | Joback Calculated Property |
| Inp | [1668.00; 1725.00] |
|
|
| Inp | 1725.00 | NIST | |
| Inp | 1725.00 | NIST | |
| Inp | 1717.00 | NIST | |
| Inp | Outlier 1668.00 | NIST | |
| Inp | 1713.00 | NIST | |
| Inp | 1717.00 | NIST | |
| Tboil | 723.62 | K | Joback Calculated Property |
| Tc | 929.03 | K | Joback Calculated Property |
| Tfus | 407.27 | K | Joback Calculated Property |
| Vc | 0.803 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [641.58; 731.08] | J/mol×K | [723.62; 929.03] |
|
| Cp,gas | 641.58 | J/mol×K | 723.62 | Joback Calculated Property |
| Cp,gas | 657.78 | J/mol×K | 757.86 | Joback Calculated Property |
| Cp,gas | 673.27 | J/mol×K | 792.09 | Joback Calculated Property |
| Cp,gas | 688.20 | J/mol×K | 826.33 | Joback Calculated Property |
| Cp,gas | 702.71 | J/mol×K | 860.56 | Joback Calculated Property |
| Cp,gas | 716.96 | J/mol×K | 894.80 | Joback Calculated Property |
| Cp,gas | 731.08 | J/mol×K | 929.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-davan-2-ol.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.