![(1S,2R,4S,7R)-7-((E)-5-Hydroxy-4-methylpent-3-en-1-yl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol](/cid/83-693-1/1S-2R-4S-7R-7-E-5-Hydroxy-4-methylpent-3-en-1-yl-1-7-dimethylbicyclo-2-2-1-heptan-2-ol.png "(1S,2R,4S,7R)-7-((E)-5-Hydroxy-4-methylpent-3-en-1-yl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol")
- InChI
- InChI=1S/C15H26O2/c1-11(10-16)5-4-7-14(2)12-6-8-15(14,3)13(17)9-12/h5,12-13,16-17H,4,6-10H2,1-3H3/b11-5+
- InChI Key
- FUCSWNUANQRDFQ-VZUCSPMQSA-N
- Formula
- C15H26O2
- SMILES
- CC(=CCCC1(C)C2CCC1(C)C(O)C2)CO
- Molecular Weight1
- 238.37
- CAS
- 201731-87-5
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6887 | Relay (... Calculated Property | |
| ΔfG° | -43.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -418.79 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 25.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.76 | kJ/mol | Relay (... Calculated Property |
| IE | 8.44 | eV | Relay (... Calculated Property |
| log10WS | -3.19 | Relay (... Calculated Property | |
| logPoct/wat | 2.892 | Crippen Calculated Property | |
| McVol | 207.930 | ml/mol | McGowan Calculated Property |
| Pc | 2250.40 | kPa | Joback Calculated Property |
| Inp | [1958.80; 1958.80] |
|
|
| Inp | 1958.80 | NIST | |
| Inp | 1958.80 | NIST | |
| Tboil | 586.03 | K | Relay (... Calculated Property |
| Tc | 842.20 | K | Relay (... Calculated Property |
| Tfus | 420.56 | K | Relay (... Calculated Property |
| Vc | 0.713 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [653.68; 749.81] | J/mol×K | [739.89; 930.76] |
|
| Cp,gas | 653.68 | J/mol×K | 739.89 | Joback Calculated Property |
| Cp,gas | 669.60 | J/mol×K | 771.70 | Joback Calculated Property |
| Cp,gas | 685.33 | J/mol×K | 803.51 | Joback Calculated Property |
| Cp,gas | 701.02 | J/mol×K | 835.32 | Joback Calculated Property |
| Cp,gas | 716.88 | J/mol×K | 867.14 | Joback Calculated Property |
| Cp,gas | 733.09 | J/mol×K | 898.95 | Joback Calculated Property |
| Cp,gas | 749.81 | J/mol×K | 930.76 | Joback Calculated Property |
Similar Compounds
Sources
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