- InChI
- InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h6,11-12H,4-5,7-8H2,1-3H3/b9-6-
- InChI Key
- JFIQWLBNEDZWHF-TWGQIWQCSA-N
- Formula
- C10H20O2
- SMILES
- CC(=CCO)CCCC(C)(C)O
- Molecular Weight1
- 172.26
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -165.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -455.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.95 | kJ/mol | Joback Calculated Property |
| log10WS | -2.50 | Crippen Calculated Property | |
| logPoct/wat | 1.866 | Crippen Calculated Property | |
| McVol | 159.200 | ml/mol | McGowan Calculated Property |
| Pc | 2718.33 | kPa | Joback Calculated Property |
| I | [2319.00; 2319.00] |
|
|
| I | 2319.00 | NIST | |
| I | 2319.00 | NIST | |
| Tboil | 613.37 | K | Joback Calculated Property |
| Tc | 783.82 | K | Joback Calculated Property |
| Tfus | 307.48 | K | Joback Calculated Property |
| Vc | 0.604 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [423.91; 485.46] | J/mol×K | [613.37; 783.82] |
|
| Cp,gas | 423.91 | J/mol×K | 613.37 | Joback Calculated Property |
| Cp,gas | 435.51 | J/mol×K | 641.78 | Joback Calculated Property |
| Cp,gas | 446.53 | J/mol×K | 670.19 | Joback Calculated Property |
| Cp,gas | 457.00 | J/mol×K | 698.59 | Joback Calculated Property |
| Cp,gas | 466.95 | J/mol×K | 727.00 | Joback Calculated Property |
| Cp,gas | 476.43 | J/mol×K | 755.41 | Joback Calculated Property |
| Cp,gas | 485.46 | J/mol×K | 783.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-3,7-Dimethyl-2-octen-1,7-diol.
Sources
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