- InChI
- InChI=1S/C8H16O/c1-4-5-6-8(9)7(2)3/h8-9H,2,4-6H2,1,3H3
- InChI Key
- PPKIOOAEILEYAF-UHFFFAOYSA-N
- Formula
- C8H16O
- SMILES
- C=C(C)C(O)CCCC
- Molecular Weight1
- 128.21
- CAS
- 13019-19-7
- 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.
- 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 | 0.5736 | Relay (... Calculated Property | |
| ΔfG° | -43.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -280.94 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 14.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.39 | kJ/mol | Relay (... Calculated Property |
| IE | 9.35 | eV | Relay (... Calculated Property |
| log10WS | -1.56 | Relay (... Calculated Property | |
| logPoct/wat | 2.114 | Crippen Calculated Property | |
| McVol | 125.150 | ml/mol | McGowan Calculated Property |
| Pc | 2956.90 | kPa | Joback Calculated Property |
| Inp | [959.00; 961.00] |
|
|
| Inp | 961.00 | NIST | |
| Inp | 959.00 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 961.00 | NIST | |
| Tboil | 436.38 | K | Relay (... Calculated Property |
| Tc | 614.84 | K | Relay (... Calculated Property |
| Tfus | 242.37 | K | Relay (... Calculated Property |
| Vc | 0.462 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.97; 334.81] | J/mol×K | [470.74; 639.51] |
|
| Cp,gas | 272.97 | J/mol×K | 470.74 | Joback Calculated Property |
| Cp,gas | 284.42 | J/mol×K | 498.87 | Joback Calculated Property |
| Cp,gas | 295.40 | J/mol×K | 527.00 | Joback Calculated Property |
| Cp,gas | 305.91 | J/mol×K | 555.13 | Joback Calculated Property |
| Cp,gas | 315.97 | J/mol×K | 583.25 | Joback Calculated Property |
| Cp,gas | 325.60 | J/mol×K | 611.38 | Joback Calculated Property |
| Cp,gas | 334.81 | J/mol×K | 639.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-1-hepten-3-ol.
Sources
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