- InChI
- InChI=1S/C8H16O/c1-5-6-8(9-4)7(2)3/h5-6H2,1-4H3
- InChI Key
- MMJOENIOBDDQMY-UHFFFAOYSA-N
- Formula
- C8H16O
- SMILES
- CCCC(OC)=C(C)C
- Molecular Weight1
- 128.21
- CAS
- 66017-19-4
- 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).
- 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 | 0.3584 | Relay (... Calculated Property | |
| ΔfG° | -25.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -239.44 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 15.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.19 | kJ/mol | Relay (... Calculated Property |
| IE | 7.94 | eV | Relay (... Calculated Property |
| log10WS | -2.33 | Relay (... Calculated Property | |
| logPoct/wat | 2.727 | Crippen Calculated Property | |
| McVol | 125.150 | ml/mol | McGowan Calculated Property |
| Pc | 2654.29 | kPa | Joback Calculated Property |
| Tboil | 402.16 | K | Relay (... Calculated Property |
| Tc | 580.39 | K | Relay (... Calculated Property |
| Tfus | 186.42 | K | Relay (... Calculated Property |
| Vc | 0.454 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.58; 312.95] | J/mol×K | [408.78; 587.64] | 
|
| Cp,gas | 242.58 | J/mol×K | 408.78 | Joback Calculated Property |
| Cp,gas | 255.52 | J/mol×K | 438.59 | Joback Calculated Property |
| Cp,gas | 267.96 | J/mol×K | 468.40 | Joback Calculated Property |
| Cp,gas | 279.91 | J/mol×K | 498.21 | Joback Calculated Property |
| Cp,gas | 291.39 | J/mol×K | 528.02 | Joback Calculated Property |
| Cp,gas | 302.39 | J/mol×K | 557.83 | Joback Calculated Property |
| Cp,gas | 312.95 | J/mol×K | 587.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-3-methoxy-2-hexene.
Sources
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