- InChI
- InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h4-5,7H,2-3,6H2,1H3/b5-4-
- InChI Key
- ORAQCSKNITWHDW-PLNGDYQASA-N
- Formula
- C7H12O
- SMILES
- CCCC=CCC=O
- Molecular Weight1
- 112.17
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3499 | Relay (1.0) Calculated Property | |
| ΔfG° | -11.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -203.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.932 | Crippen Calculated Property | |
| McVol | 106.760 | ml/mol | McGowan Calculated Property |
| Pc | 3213.68 | kPa | Joback Calculated Property |
| I | [1295.00; 1312.00] |
|
|
| I | 1295.00 | NIST | |
| I | 1312.00 | NIST | |
| I | 1312.00 | NIST | |
| I | 1295.00 | NIST | |
| Tboil | 422.07 | K | Relay (1.0) Calculated Property |
| Tc | 606.84 | K | Relay (1.0) Calculated Property |
| Tfus | 209.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.389 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.82; 259.04] | J/mol×K | [412.58; 593.04] |
|
| Cp,gas | 201.82 | J/mol×K | 412.58 | Joback Calculated Property |
| Cp,gas | 212.55 | J/mol×K | 442.66 | Joback Calculated Property |
| Cp,gas | 222.78 | J/mol×K | 472.73 | Joback Calculated Property |
| Cp,gas | 232.52 | J/mol×K | 502.81 | Joback Calculated Property |
| Cp,gas | 241.80 | J/mol×K | 532.89 | Joback Calculated Property |
| Cp,gas | 250.63 | J/mol×K | 562.96 | Joback Calculated Property |
| Cp,gas | 259.04 | J/mol×K | 593.04 | Joback Calculated Property |
| η | [0.0002650; 0.0042661] | Pa×s | [205.57; 412.58] |
|
| η | 0.0042661 | Pa×s | 205.57 | Joback Calculated Property |
| η | 0.0019248 | Pa×s | 240.07 | Joback Calculated Property |
| η | 0.0010607 | Pa×s | 274.57 | Joback Calculated Property |
| η | 0.0006677 | Pa×s | 309.07 | Joback Calculated Property |
| η | 0.0004613 | Pa×s | 343.58 | Joback Calculated Property |
| η | 0.0003409 | Pa×s | 378.08 | Joback Calculated Property |
| η | 0.0002650 | Pa×s | 412.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-3-heptenal.
Sources
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