- InChI
- InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h10-11H,1,4-8H2,2-3H3
- InChI Key
- JGQFVRIQXUFPAH-UHFFFAOYSA-N
- Formula
- C10H20O
- SMILES
- C=C(C)CCCC(C)CCO
- Molecular Weight1
- 156.27
- CAS
- 141-25-3
- Other Names
-
- 3,7-dimethyloct-7-en-1-ol
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 19.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.751 | Crippen Calculated Property | |
| McVol | 153.330 | ml/mol | McGowan Calculated Property |
| Inp | [1164.00; 1164.00] |
|
|
| Inp | 1164.00 | NIST | |
| Inp | 1164.00 | NIST | |
| I | [1760.00; 1781.00] |
|
|
| I | 1760.00 | NIST | |
| I | 1778.00 | NIST | |
| I | 1781.00 | NIST | |
| I | 1760.00 | NIST | |
| Tboil | 493.42 | K | Relay (1.0) Calculated Property |
| Tc | 678.29 | K | Relay (1.0) Calculated Property |
| Tfus | 228.52 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [220.15; 525.66] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.27500e+00 | |||
| Coefficient B | 9.73640e-01 | |||
| Coefficient C | -5.79000e-04 | |||
| Coefficient D | 1.36300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 220.15 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 272.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 319.67 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 361.36 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 398.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 430.76 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 459.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 484.37 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 506.35 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 525.66 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 7-Octen-1-ol, 3,7-dimethyl-.
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
- Joback Method
- McGowan Method
- NIST Webbook
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