- InChI
- InChI=1S/C10H18O2/c1-5-8(2)6-7-9(11)10(3,4)12/h5-6,9,11-12H,1,7H2,2-4H3/b8-6-
- InChI Key
- BTHAWHOTHGQIKC-VURMDHGXSA-N
- Formula
- C10H18O2
- SMILES
- C=CC(C)=CCC(O)C(C)(C)O
- Molecular Weight1
- 170.25
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6853 | Relay (... Calculated Property | |
| ΔfG° | -80.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -394.08 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 16.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.39 | kJ/mol | Relay (... Calculated Property |
| IE | 8.82 | eV | Relay (... Calculated Property |
| log10WS | -1.14 | Relay (... Calculated Property | |
| logPoct/wat | 1.641 | Crippen Calculated Property | |
| McVol | 154.900 | ml/mol | McGowan Calculated Property |
| Pc | 2865.80 | kPa | Joback Calculated Property |
| I | [2101.00; 2101.00] |
|
|
| I | 2101.00 | NIST | |
| I | 2101.00 | NIST | |
| Tboil | 519.40 | K | Relay (... Calculated Property |
| Tc | 703.65 | K | Relay (... Calculated Property |
| Tfus | 328.05 | K | Relay (... Calculated Property |
| Vc | 0.546 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [403.19; 462.25] | J/mol×K | [609.61; 785.25] |
|
| Cp,gas | 403.19 | J/mol×K | 609.61 | Joback Calculated Property |
| Cp,gas | 414.43 | J/mol×K | 638.88 | Joback Calculated Property |
| Cp,gas | 425.05 | J/mol×K | 668.16 | Joback Calculated Property |
| Cp,gas | 435.11 | J/mol×K | 697.43 | Joback Calculated Property |
| Cp,gas | 444.63 | J/mol×K | 726.70 | Joback Calculated Property |
| Cp,gas | 453.67 | J/mol×K | 755.98 | Joback Calculated Property |
| Cp,gas | 462.25 | J/mol×K | 785.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (5Z)-2,6-dimethyl-5,7-octadiene-2,3-diol.
Sources
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