- InChI
- InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,9H,2,5,8H2,1H3/b4-3-,7-6+
- InChI Key
- FIDBXHOCOXRPRO-WWVFNRLHSA-N
- Formula
- C9H14O
- SMILES
- CCC=CCC=CCC=O
- Molecular Weight1
- 138.21
- 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 | 0.3342 | Relay (1.0) Calculated Property | |
| ΔfG° | 85.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -175.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.488 | Crippen Calculated Property | |
| McVol | 130.640 | ml/mol | McGowan Calculated Property |
| Pc | 2758.46 | kPa | Joback Calculated Property |
| Inp | [1153.00; 1157.00] |
|
|
| Inp | 1157.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1157.00 | NIST | |
| Tboil | 461.08 | K | Relay (1.0) Calculated Property |
| Tc | 651.44 | K | Relay (1.0) Calculated Property |
| Tfus | 244.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.460 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [173.31; 413.26] | 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 | -2.22570e+01 | |||
| Coefficient B | 8.73320e-01 | |||
| Coefficient C | -6.26400e-04 | |||
| Coefficient D | 1.88600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 173.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 216.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 254.44 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 287.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 315.70 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 340.37 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 361.87 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 380.79 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 397.72 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 413.26 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0043918; 0.0002247] | Pa×s | [223.03; 454.07] |
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 | -1.12702e+01 | |||
| Coefficient B | 1.30299e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 223.03 | |||
| Temperature range, max. | 454.07 | |||
| η | 0.0043918 | Pa×s | 223.03 | Calculated Property |
| η | 0.0024030 | Pa×s | 248.70 | Calculated Property |
| η | 0.0014718 | Pa×s | 274.37 | Calculated Property |
| η | 0.0009804 | Pa×s | 300.04 | Calculated Property |
| η | 0.0006962 | Pa×s | 325.72 | Calculated Property |
| η | 0.0005198 | Pa×s | 351.39 | Calculated Property |
| η | 0.0004038 | Pa×s | 377.06 | Calculated Property |
| η | 0.0003240 | Pa×s | 402.73 | Calculated Property |
| η | 0.0002669 | Pa×s | 428.40 | Calculated Property |
| η | 0.0002247 | Pa×s | 454.07 | Calculated Property |
Similar Compounds
Find more compounds similar to 2(E),6(Z)-Nonadienal.
Sources
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