- InChI
- InChI=1S/C11H20O/c1-3-4-5-6-7-8-9-11(2)10-12/h9-10H,3-8H2,1-2H3/b11-9+
- InChI Key
- QTXNUCRSDPAMSK-PKNBQFBNSA-N
- Formula
- C11H20O
- SMILES
- CCCCCCCC=C(C)C=O
- Molecular Weight1
- 168.28
- 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 | 0.5357 | Relay (1.0) Calculated Property | |
| ΔfG° | 13.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -261.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.492 | Crippen Calculated Property | |
| McVol | 163.120 | ml/mol | McGowan Calculated Property |
| Pc | 2177.49 | kPa | Joback Calculated Property |
| Inp | 1325.00 | NIST | |
| Ip | 1648.00 | NIST | |
| Tboil | 498.43 | K | Relay (1.0) Calculated Property |
| Tc | 704.25 | K | Relay (1.0) Calculated Property |
| Tfus | 233.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.614 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [229.89; 546.76] | 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 | -9.58400e+00 | |||
| Coefficient B | 1.04324e+00 | |||
| Coefficient C | -6.53700e-04 | |||
| Coefficient D | 1.66800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 229.89 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 285.06 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 334.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 377.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 415.34 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 448.79 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 478.13 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 503.89 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 526.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 546.76 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to (E)-2-Methyl-2-decenal.
Sources
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