![[2,3-2H2]-(E)-2-Octenal](/cid/30-903-5/2-3-2H2-E-2-Octenal.png "[2,3-2H2]-(E)-2-Octenal")
- InChI
- InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+/i6D,7D
- InChI Key
- LVBXEMGDVWVTGY-ITRJFYCISA-N
- Formula
- C8H12D2O
- SMILES
- CCCCCC=CC=O
- Molecular Weight1
- 128.21
- 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.
- I : 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 | 0.4391 | Relay (1.0) Calculated Property | |
| ΔfG° | -2.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -199.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.322 | Crippen Calculated Property | |
| McVol | 120.850 | ml/mol | McGowan Calculated Property |
| Pc | 2890.51 | kPa | Joback Calculated Property |
| Inp | [1059.00; 1059.00] |
|
|
| Inp | 1059.00 | NIST | |
| Inp | 1059.00 | NIST | |
| I | [1424.00; 1428.00] |
|
|
| I | 1424.00 | NIST | |
| I | 1428.00 | NIST | |
| I | 1424.00 | NIST | |
| Tboil | 446.97 | K | Relay (1.0) Calculated Property |
| Tc | 648.81 | K | Relay (1.0) Calculated Property |
| Tfus | 208.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.451 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.10; 392.25] | 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 | -7.16600e+00 | |||
| Coefficient B | 7.58320e-01 | |||
| Coefficient C | -4.88200e-04 | |||
| Coefficient D | 1.29300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 166.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 205.73 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 240.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 271.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 298.79 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 322.55 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 343.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 361.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 377.81 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 392.25 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0045537; 0.0002716] | Pa×s | [216.84; 430.24] |
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 | -1.10761e+01 | |||
| Coefficient B | 1.23259e+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. | 216.84 | |||
| Temperature range, max. | 430.24 | |||
| η | 0.0045537 | Pa×s | 216.84 | Calculated Property |
| η | 0.0026004 | Pa×s | 240.55 | Calculated Property |
| η | 0.0016420 | Pa×s | 264.26 | Calculated Property |
| η | 0.0011184 | Pa×s | 287.97 | Calculated Property |
| η | 0.0008075 | Pa×s | 311.68 | Calculated Property |
| η | 0.0006106 | Pa×s | 335.39 | Calculated Property |
| η | 0.0004790 | Pa×s | 359.10 | Calculated Property |
| η | 0.0003873 | Pa×s | 382.81 | Calculated Property |
| η | 0.0003210 | Pa×s | 406.53 | Calculated Property |
| η | 0.0002716 | Pa×s | 430.24 | Calculated Property |
Similar Compounds
Find more compounds similar to [2,3-2H2]-(E)-2-Octenal.
Sources
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