- InChI
- InChI=1S/C9H18O/c1-7(2)6-9(10-5)8(3)4/h7H,6H2,1-5H3
- InChI Key
- RNXMYQBHWTXSGP-UHFFFAOYSA-N
- Formula
- C9H18O
- SMILES
- COC(CC(C)C)=C(C)C
- Molecular Weight1
- 142.24
- CAS
- 66017-22-9
- 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 | 0.3782 | Relay (... Calculated Property | |
| ΔfG° | -19.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -269.19 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 14.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.20 | kJ/mol | Relay (... Calculated Property |
| IE | 8.03 | eV | Relay (... Calculated Property |
| log10WS | -2.80 | Relay (... Calculated Property | |
| logPoct/wat | 2.973 | Crippen Calculated Property | |
| McVol | 139.240 | ml/mol | McGowan Calculated Property |
| Pc | 2429.05 | kPa | Joback Calculated Property |
| Tboil | 411.68 | K | Relay (... Calculated Property |
| Tc | 592.37 | K | Relay (... Calculated Property |
| Tfus | 193.20 | K | Relay (... Calculated Property |
| Vc | 0.501 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [283.50; 361.80] | J/mol×K | [431.22; 612.90] | 
|
| Cp,gas | 283.50 | J/mol×K | 431.22 | Joback Calculated Property |
| Cp,gas | 297.97 | J/mol×K | 461.50 | Joback Calculated Property |
| Cp,gas | 311.84 | J/mol×K | 491.78 | Joback Calculated Property |
| Cp,gas | 325.15 | J/mol×K | 522.06 | Joback Calculated Property |
| Cp,gas | 337.90 | J/mol×K | 552.34 | Joback Calculated Property |
| Cp,gas | 350.11 | J/mol×K | 582.62 | Joback Calculated Property |
| Cp,gas | 361.80 | J/mol×K | 612.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Dimethyl-3-methoxy-hexene.
Sources
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