- InChI
- InChI=1S/C15H26O/c1-11(2)6-5-7-12(3)15-9-8-14(4,16)13(15)10-15/h6,12-13,16H,5,7-10H2,1-4H3/t12?,13?,14-,15+/m0/s1
- InChI Key
- IRDFGGRWKUKANK-PFSRBDOWSA-N
- Formula
- C15H26O
- SMILES
- CC(C)=CCCC(C)C12CCC(C)(O)C1C2
- Molecular Weight1
- 222.37
- 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.
- 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° | 110.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -247.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.53 | kJ/mol | Joback Calculated Property |
| log10WS | -4.39 | Crippen Calculated Property | |
| logPoct/wat | 3.920 | Crippen Calculated Property | |
| McVol | 202.060 | ml/mol | McGowan Calculated Property |
| Pc | 2096.50 | kPa | Joback Calculated Property |
| Inp | [1573.00; 1586.00] |
|
|
| Inp | 1586.00 | NIST | |
| Inp | 1579.00 | NIST | |
| Inp | 1573.00 | NIST | |
| I | [2094.00; 2110.00] |
|
|
| I | 2099.00 | NIST | |
| I | 2094.00 | NIST | |
| I | 2110.00 | NIST | |
| Tboil | 647.67 | K | Joback Calculated Property |
| Tc | 844.14 | K | Joback Calculated Property |
| Tfus | 365.03 | K | Joback Calculated Property |
| Vc | 0.778 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [583.77; 679.97] | J/mol×K | [647.67; 844.14] |
|
| Cp,gas | 583.77 | J/mol×K | 647.67 | Joback Calculated Property |
| Cp,gas | 600.91 | J/mol×K | 680.41 | Joback Calculated Property |
| Cp,gas | 617.33 | J/mol×K | 713.16 | Joback Calculated Property |
| Cp,gas | 633.24 | J/mol×K | 745.90 | Joback Calculated Property |
| Cp,gas | 648.84 | J/mol×K | 778.65 | Joback Calculated Property |
| Cp,gas | 664.35 | J/mol×K | 811.39 | Joback Calculated Property |
| Cp,gas | 679.97 | J/mol×K | 844.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7-epi-cis-Sesquisabinene hydrate.
Sources
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