- InChI
- InChI=1S/C7H12O/c1-3-5-7-8-6-4-2/h4-7H,3H2,1-2H3/b6-4+,7-5+
- InChI Key
- BDJSOOUWCKJJQE-YDFGWWAZSA-N
- Formula
- C7H12O
- SMILES
- CC=COC=CCC
- Molecular Weight1
- 112.17
- CAS
- 61463-28-3
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | 0.3424 | Relay (1.0) Calculated Property | |
| ΔfG° | 63.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -116.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.24 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.460 | Crippen Calculated Property | |
| McVol | 106.760 | ml/mol | McGowan Calculated Property |
| Pc | 3076.16 | kPa | Joback Calculated Property |
| Tboil | 385.66 | K | Relay (1.0) Calculated Property |
| Tc | 574.33 | K | Relay (1.0) Calculated Property |
| Tfus | 239.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.391 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [189.39; 248.76] | J/mol×K | [390.50; 572.48] | 
|
| Cp,gas | 189.39 | J/mol×K | 390.50 | Joback Calculated Property |
| Cp,gas | 200.47 | J/mol×K | 420.83 | Joback Calculated Property |
| Cp,gas | 211.06 | J/mol×K | 451.16 | Joback Calculated Property |
| Cp,gas | 221.16 | J/mol×K | 481.49 | Joback Calculated Property |
| Cp,gas | 230.80 | J/mol×K | 511.82 | Joback Calculated Property |
| Cp,gas | 239.99 | J/mol×K | 542.15 | Joback Calculated Property |
| Cp,gas | 248.76 | J/mol×K | 572.48 | Joback Calculated Property |
| η | [0.0001509; 0.0033615] | Pa×s | [180.72; 390.50] |
|
| η | 0.0033615 | Pa×s | 180.72 | Joback Calculated Property |
| η | 0.0013176 | Pa×s | 215.68 | Joback Calculated Property |
| η | 0.0006707 | Pa×s | 250.65 | Joback Calculated Property |
| η | 0.0004028 | Pa×s | 285.61 | Joback Calculated Property |
| η | 0.0002703 | Pa×s | 320.57 | Joback Calculated Property |
| η | 0.0001962 | Pa×s | 355.54 | Joback Calculated Property |
| η | 0.0001509 | Pa×s | 390.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E,E)(1-Butenyl)(1-propenyl)ether.
Sources
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