- InChI
- InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h6H,2-5H2,1H3
- InChI Key
- VPGHGGRZCMHQCC-UHFFFAOYSA-N
- Formula
- C7H12O
- SMILES
- CCCCCC=C=O
- Molecular Weight1
- 112.17
- 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).
- 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.
- 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° | -22.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -158.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.35 | kJ/mol | Joback Calculated Property |
| log10WS | -6.55 | Crippen Calculated Property | |
| logPoct/wat | 1.955 | Crippen Calculated Property | |
| McVol | 106.760 | ml/mol | McGowan Calculated Property |
| Pc | 3633.35 | kPa | Joback Calculated Property |
| Inp | [901.00; 901.00] |
|
|
| Inp | 901.00 | NIST | |
| Inp | 901.00 | NIST | |
| Tboil | 353.71 | K | Joback Calculated Property |
| Tc | 516.34 | K | Joback Calculated Property |
| Tfus | 191.07 | K | Joback Calculated Property |
| Vc | 0.424 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [185.04; 240.51] | J/mol×K | [353.71; 516.34] |
|
| Cp,gas | 185.04 | J/mol×K | 353.71 | Joback Calculated Property |
| Cp,gas | 195.32 | J/mol×K | 380.81 | Joback Calculated Property |
| Cp,gas | 205.17 | J/mol×K | 407.92 | Joback Calculated Property |
| Cp,gas | 214.60 | J/mol×K | 435.02 | Joback Calculated Property |
| Cp,gas | 223.62 | J/mol×K | 462.13 | Joback Calculated Property |
| Cp,gas | 232.25 | J/mol×K | 489.23 | Joback Calculated Property |
| Cp,gas | 240.51 | J/mol×K | 516.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Heptenal.
Sources
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