- InChI
- InChI=1S/C10H18O/c1-3-5-6-8-10(9-11)7-4-2/h8-9H,3-7H2,1-2H3/b10-8+
- InChI Key
- GADNZGQWPNTMCH-CSKARUKUSA-N
- Formula
- C10H18O
- SMILES
- CCCCC=C(C=O)CCC
- Molecular Weight1
- 154.25
- CAS
- 64935-37-1
- 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).
- Inp : Non-polar retention indices.
- Ip : 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 | 0.4852 | Relay (1.0) Calculated Property | |
| ΔfG° | 5.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -237.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.102 | Crippen Calculated Property | |
| McVol | 149.030 | ml/mol | McGowan Calculated Property |
| Pc | 2386.52 | kPa | Joback Calculated Property |
| Inp | 1177.00 | NIST | |
| Ip | 1503.00 | NIST | |
| Tboil | 470.97 | K | Relay (1.0) Calculated Property |
| Tc | 672.29 | K | Relay (1.0) Calculated Property |
| Tfus | 212.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.553 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.68; 495.17] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -8.67500e+00 | |||
| Coefficient B | 9.48240e-01 | |||
| Coefficient C | -5.99300e-04 | |||
| Coefficient D | 1.54900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 208.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 258.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 302.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 342.03 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 376.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 406.63 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 433.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 456.37 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 476.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 495.17 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to (E)-2-Propylhept-2-enal.
Sources
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