- InChI
- InChI=1S/C15H26O/c1-11-12-10-14(2,3)7-5-8-15(12,4)9-6-13(11)16/h12-13,16H,1,5-10H2,2-4H3/t12?,13-,15?/m0/s1
- InChI Key
- IKSHWUGVGMWZTO-OWYJLGKBSA-N
- Formula
- C15H26O
- SMILES
- C=C1C(O)CCC2(C)CCCC(C)(C)CC12
- 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.
- 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° | 26.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -316.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.59 | 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 | 2187.68 | kPa | Joback Calculated Property |
| Inp | [1606.00; 1613.00] |
|
|
| Inp | 1606.00 | NIST | |
| Inp | 1613.00 | NIST | |
| Inp | 1613.00 | NIST | |
| Tboil | 659.91 | K | Joback Calculated Property |
| Tc | 873.53 | K | Joback Calculated Property |
| Tfus | 390.91 | K | Joback Calculated Property |
| Vc | 0.747 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [595.57; 709.81] | J/mol×K | [659.91; 873.53] |
|
| Cp,gas | 595.57 | J/mol×K | 659.91 | Joback Calculated Property |
| Cp,gas | 616.20 | J/mol×K | 695.51 | Joback Calculated Property |
| Cp,gas | 635.93 | J/mol×K | 731.12 | Joback Calculated Property |
| Cp,gas | 654.95 | J/mol×K | 766.72 | Joback Calculated Property |
| Cp,gas | 673.48 | J/mol×K | 802.32 | Joback Calculated Property |
| Cp,gas | 691.70 | J/mol×K | 837.93 | Joback Calculated Property |
| Cp,gas | 709.81 | J/mol×K | 873.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to epi-Marsupellol.
Sources
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