- InChI
- InChI=1S/C6H12O/c1-4-6(5-2)7-3/h4H,5H2,1-3H3/b6-4+
- InChI Key
- SDCXDHFQQVVBEN-GQCTYLIASA-N
- Formula
- C6H12O
- SMILES
- CC=C(CC)OC
- Molecular Weight1
- 100.16
- CAS
- 53260-03-0
- 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 | 0.3096 | Relay (1.0) Calculated Property | |
| ΔfG° | -33.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -216.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.947 | Crippen Calculated Property | |
| McVol | 96.970 | ml/mol | McGowan Calculated Property |
| Pc | 3250.43 | kPa | Joback Calculated Property |
| Tboil | 364.39 | K | Relay (1.0) Calculated Property |
| Tc | 539.55 | K | Relay (1.0) Calculated Property |
| Tfus | 180.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.348 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [167.72; 223.18] | J/mol×K | [363.14; 540.00] | 
|
| Cp,gas | 167.72 | J/mol×K | 363.14 | Joback Calculated Property |
| Cp,gas | 177.87 | J/mol×K | 392.62 | Joback Calculated Property |
| Cp,gas | 187.64 | J/mol×K | 422.09 | Joback Calculated Property |
| Cp,gas | 197.05 | J/mol×K | 451.57 | Joback Calculated Property |
| Cp,gas | 206.10 | J/mol×K | 481.05 | Joback Calculated Property |
| Cp,gas | 214.81 | J/mol×K | 510.52 | Joback Calculated Property |
| Cp,gas | 223.18 | J/mol×K | 540.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-3-Methoxy-2-pentene.
Sources
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