- InChI
- InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h4-8H,2-3H2,1H3/b5-4+,7-6+
- InChI Key
- DVVATNQISMINCX-YTXTXJHMSA-N
- Formula
- C8H12O
- SMILES
- CCC/C=C/C=C/C=O
- Molecular Weight1
- 124.18
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3384 | Relay (1.0) Calculated Property | |
| ΔfG° | 77.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -99.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.098 | Crippen Calculated Property | |
| McVol | 116.550 | ml/mol | McGowan Calculated Property |
| Pc | 3059.17 | kPa | Joback Calculated Property |
| Inp | [1113.00; 1124.00] |
|
|
| Inp | 1113.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1116.00 | NIST | |
| Tboil | 445.97 | K | Relay (1.0) Calculated Property |
| Tc | 652.37 | K | Relay (1.0) Calculated Property |
| Tfus | 261.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.415 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [152.10; 361.67] | 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 | -2.13480e+01 | |||
| Coefficient B | 7.78320e-01 | |||
| Coefficient C | -5.72000e-04 | |||
| Coefficient D | 1.76700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 152.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 190.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 223.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 252.02 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 276.79 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 298.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 316.85 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 333.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 348.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 361.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0042123; 0.0002189] | Pa×s | [211.76; 439.33] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.11782e+01 | |||
| Coefficient B | 1.20883e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 211.76 | |||
| Temperature range, max. | 439.33 | |||
| η | 0.0042123 | Pa×s | 211.76 | Calculated Property |
| η | 0.0022912 | Pa×s | 237.05 | Calculated Property |
| η | 0.0014015 | Pa×s | 262.33 | Calculated Property |
| η | 0.0009346 | Pa×s | 287.62 | Calculated Property |
| η | 0.0006655 | Pa×s | 312.90 | Calculated Property |
| η | 0.0004985 | Pa×s | 338.19 | Calculated Property |
| η | 0.0003888 | Pa×s | 363.48 | Calculated Property |
| η | 0.0003132 | Pa×s | 388.76 | Calculated Property |
| η | 0.0002590 | Pa×s | 414.05 | Calculated Property |
| η | 0.0002189 | Pa×s | 439.33 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Octadienal.
Sources
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