- InChI
- InChI=1S/C15H26O2/c1-9-7-12(16)13-11(9)8-10-5-6-15(13,4)17-14(10,2)3/h9-13,16H,5-8H2,1-4H3
- InChI Key
- ZADVMZUKWWMSLQ-UHFFFAOYSA-N
- Formula
- C15H26O2
- SMILES
- CC1CC(O)C2C1CC1CCC2(C)OC1(C)C
- 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° | -43.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -488.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.89 | kJ/mol | Joback Calculated Property |
| log10WS | -3.51 | Crippen Calculated Property | |
| logPoct/wat | 2.987 | Crippen Calculated Property | |
| McVol | 201.370 | ml/mol | McGowan Calculated Property |
| Pc | 2159.31 | kPa | Joback Calculated Property |
| Inp | [1662.00; 1690.20] |
|
|
| Inp | 1662.00 | NIST | |
| Inp | 1690.20 | NIST | |
| Inp | 1662.00 | NIST | |
| Tboil | 676.56 | K | Joback Calculated Property |
| Tc | 887.16 | K | Joback Calculated Property |
| Tfus | 420.30 | K | Joback Calculated Property |
| Vc | 0.754 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [638.59; 754.18] | J/mol×K | [676.56; 887.16] |
|
| Cp,gas | 638.59 | J/mol×K | 676.56 | Joback Calculated Property |
| Cp,gas | 659.20 | J/mol×K | 711.66 | Joback Calculated Property |
| Cp,gas | 678.97 | J/mol×K | 746.76 | Joback Calculated Property |
| Cp,gas | 698.13 | J/mol×K | 781.86 | Joback Calculated Property |
| Cp,gas | 716.90 | J/mol×K | 816.96 | Joback Calculated Property |
| Cp,gas | 735.51 | J/mol×K | 852.06 | Joback Calculated Property |
| Cp,gas | 754.18 | J/mol×K | 887.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Kessyl alcohol.
Sources
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