- InChI
- InChI=1S/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3
- InChI Key
- OMDMTHRBGUBUCO-UHFFFAOYSA-N
- Formula
- C10H18O2
- SMILES
- CC1=CCC(C(C)(C)[O])CC1[O]
- Molecular Weight1
- 170.25
- CAS
- 32226-54-3
- Other Names
-
- 3-Cyclohexene-1-methanol, 5-hydroxy-«alpha»,«alpha»,4-trimethyl-, trans-(.+-.)-
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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).
- 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 | 0.3850 | Relay (... Calculated Property | |
| ΔfG° | -101.90 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -389.91 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 60.14 | kJ/mol | Relay (... Calculated Property |
| IE | 8.96 | eV | Relay (... Calculated Property |
| log10WS | -2.49 | Relay (... Calculated Property | |
| logPoct/wat | 2.351 | Crippen Calculated Property | |
| McVol | 144.040 | ml/mol | McGowan Calculated Property |
| Pc | 2983.03 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 543.70 | K | NIST |
| Tc | 709.19 | K | Relay (... Calculated Property |
| Tfus | 262.47 | K | Relay (... Calculated Property |
| Vc | 0.514 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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