- InChI
- InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5-6,11H,4,7-8H2,1-3H3/b10-6-
- InChI Key
- DTHIOPUFUOMHAY-POHAHGRESA-N
- Formula
- C10H18O
- SMILES
- CC(C)=CCC=C(C)CCO
- Molecular Weight1
- 154.25
- CAS
- 5944-20-7
- Other Names
-
- Isogeraniol
- (3Z)-3,7-Dimethyl-3,6-octadien-1-ol
- cis-Isogeraniol
- (Z)-iso-Geraniol
- 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.
- 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 | 0.5835 | Relay (... Calculated Property | |
| ΔfG° | 39.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -245.56 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.48 | kJ/mol | Relay (... Calculated Property |
| IE | 8.40 | eV | Relay (... Calculated Property |
| log10WS | -2.40 | Relay (... Calculated Property | |
| logPoct/wat | 2.671 | Crippen Calculated Property | |
| McVol | 149.030 | ml/mol | McGowan Calculated Property |
| Pc | 2571.50 | kPa | Joback Calculated Property |
| Inp | [1222.00; 1273.00] |
|
|
| Inp | 1273.00 | NIST | |
| Inp | 1232.00 | NIST | |
| Inp | 1237.00 | NIST | |
| Inp | 1248.00 | NIST | |
| Inp | 1222.00 | NIST | |
| I | [1782.00; 1849.00] |
|
|
| I | 1782.00 | NIST | |
| I | 1828.00 | NIST | |
| I | 1812.00 | NIST | |
| I | 1782.00 | NIST | |
| I | 1849.00 | NIST | |
| I | 1828.00 | NIST | |
| I | 1820.00 | NIST | |
| I | 1820.00 | NIST | |
| I | 1820.00 | NIST | |
| Tboil | 507.53 | K | Relay (... Calculated Property |
| Tc | 682.28 | K | Relay (... Calculated Property |
| Tfus | 229.20 | K | Relay (... Calculated Property |
| Vc | 0.514 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [344.44; 412.43] | J/mol×K | [528.46; 705.46] |
|
| Cp,gas | 344.44 | J/mol×K | 528.46 | Joback Calculated Property |
| Cp,gas | 357.23 | J/mol×K | 557.96 | Joback Calculated Property |
| Cp,gas | 369.40 | J/mol×K | 587.46 | Joback Calculated Property |
| Cp,gas | 380.97 | J/mol×K | 616.96 | Joback Calculated Property |
| Cp,gas | 391.97 | J/mol×K | 646.46 | Joback Calculated Property |
| Cp,gas | 402.45 | J/mol×K | 675.96 | Joback Calculated Property |
| Cp,gas | 412.43 | J/mol×K | 705.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-.
Sources
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