- InChI
- InChI=1S/C15H24O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,11,14H,4-5,7-10H2,1-3H3/b12-6-
- InChI Key
- QTFJNWQFKJITEE-SDQBBNPISA-N
- Formula
- C15H24O
- SMILES
- C=C1CCC=C(C)CCC(C(C)C)C(=O)C1
- Molecular Weight1
- 220.35
- 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° | -0.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -335.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.07 | kJ/mol | Joback Calculated Property |
| log10WS | -4.50 | Crippen Calculated Property | |
| logPoct/wat | 4.294 | Crippen Calculated Property | |
| McVol | 204.320 | ml/mol | McGowan Calculated Property |
| Pc | 1940.65 | kPa | Joback Calculated Property |
| Inp | [1587.00; 1587.00] |
|
|
| Inp | 1587.00 | NIST | |
| Inp | 1587.00 | NIST | |
| Tboil | 649.91 | K | Joback Calculated Property |
| Tc | 883.60 | K | Joback Calculated Property |
| Tfus | 332.29 | K | Joback Calculated Property |
| Vc | 0.748 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [563.23; 681.85] | J/mol×K | [649.91; 883.60] |
|
| Cp,gas | 563.23 | J/mol×K | 649.91 | Joback Calculated Property |
| Cp,gas | 586.87 | J/mol×K | 688.86 | Joback Calculated Property |
| Cp,gas | 609.01 | J/mol×K | 727.81 | Joback Calculated Property |
| Cp,gas | 629.62 | J/mol×K | 766.76 | Joback Calculated Property |
| Cp,gas | 648.65 | J/mol×K | 805.70 | Joback Calculated Property |
| Cp,gas | 666.08 | J/mol×K | 844.65 | Joback Calculated Property |
| Cp,gas | 681.85 | J/mol×K | 883.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Preisocalamendiol.
Sources
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