- InChI
- InChI=1S/C7H10O2/c1-2-6-7(9-6)4-3-5-8/h3-7H,2H2,1H3/b4-3+/t6-,7-/m0/s1
- InChI Key
- PGTKHYGKDOAHEN-FWDZIHJBSA-N
- Formula
- C7H10O2
- SMILES
- CCC1OC1C=CC=O
- Molecular Weight1
- 126.15
- 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).
- 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.
- I : 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 |
|---|---|---|---|
| ΔfG° | -44.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -235.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.97 | kJ/mol | Joback Calculated Property |
| log10WS | -1.09 | Crippen Calculated Property | |
| logPoct/wat | 0.919 | Crippen Calculated Property | |
| McVol | 101.770 | ml/mol | McGowan Calculated Property |
| Pc | 3560.02 | kPa | Joback Calculated Property |
| Inp | [1080.00; 1080.00] |
|
|
| Inp | 1080.00 | NIST | |
| Inp | 1080.00 | NIST | |
| I | [1698.00; 1698.00] |
|
|
| I | 1698.00 | NIST | |
| I | 1698.00 | NIST | |
| Tboil | 441.40 | K | Joback Calculated Property |
| Tc | 636.77 | K | Joback Calculated Property |
| Tfus | 245.84 | K | Joback Calculated Property |
| Vc | 0.402 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [214.68; 275.79] | J/mol×K | [441.40; 636.77] |
|
| Cp,gas | 214.68 | J/mol×K | 441.40 | Joback Calculated Property |
| Cp,gas | 226.48 | J/mol×K | 473.96 | Joback Calculated Property |
| Cp,gas | 237.59 | J/mol×K | 506.52 | Joback Calculated Property |
| Cp,gas | 248.04 | J/mol×K | 539.09 | Joback Calculated Property |
| Cp,gas | 257.86 | J/mol×K | 571.65 | Joback Calculated Property |
| Cp,gas | 267.10 | J/mol×K | 604.21 | Joback Calculated Property |
| Cp,gas | 275.79 | J/mol×K | 636.77 | Joback Calculated Property |
| η | [0.0005172; 0.0015297] | Pa×s | [245.84; 441.40] |
|
| η | 0.0015297 | Pa×s | 245.84 | Joback Calculated Property |
| η | 0.0011486 | Pa×s | 278.43 | Joback Calculated Property |
| η | 0.0009158 | Pa×s | 311.03 | Joback Calculated Property |
| η | 0.0007623 | Pa×s | 343.62 | Joback Calculated Property |
| η | 0.0006550 | Pa×s | 376.21 | Joback Calculated Property |
| η | 0.0005765 | Pa×s | 408.81 | Joback Calculated Property |
| η | 0.0005172 | Pa×s | 441.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-4,5-epoxy-(E)-hept-2-enal.
Sources
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