- InChI
- InChI=1S/C13H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h6-7,9-13H,2-5,8H2,1H3/b7-6+,10-9+,12-11+
- InChI Key
- BIXIZZVISIZZDM-NRSJTBBXSA-N
- Formula
- C13H20O
- SMILES
- CCCCCC=CCC=CC=CC=O
- Molecular Weight1
- 192.30
- 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 | 0.4640 | Relay (1.0) Calculated Property | |
| ΔfG° | 199.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -159.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.824 | Crippen Calculated Property | |
| McVol | 182.700 | ml/mol | McGowan Calculated Property |
| Pc | 2000.12 | kPa | Joback Calculated Property |
| Inp | 1647.00 | NIST | |
| Tboil | 523.89 | K | Relay (1.0) Calculated Property |
| Tc | 717.77 | K | Relay (1.0) Calculated Property |
| Tfus | 290.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.635 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [244.16; 589.05] | 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 | -4.00750e+01 | |||
| Coefficient B | 1.27332e+00 | |||
| Coefficient C | -9.27800e-04 | |||
| Coefficient D | 2.83600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 244.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 306.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 361.32 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 408.53 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 449.35 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 484.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 515.42 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 542.46 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 566.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 589.04 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0039796; 0.0001762] | Pa×s | [263.03; 521.02] |
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 | -1.18219e+01 | |||
| Coefficient B | 1.65587e+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. | 263.03 | |||
| Temperature range, max. | 521.02 | |||
| η | 0.0039796 | Pa×s | 263.03 | Calculated Property |
| η | 0.0021437 | Pa×s | 291.70 | Calculated Property |
| η | 0.0012899 | Pa×s | 320.36 | Calculated Property |
| η | 0.0008437 | Pa×s | 349.03 | Calculated Property |
| η | 0.0005886 | Pa×s | 377.69 | Calculated Property |
| η | 0.0004320 | Pa×s | 406.36 | Calculated Property |
| η | 0.0003303 | Pa×s | 435.02 | Calculated Property |
| η | 0.0002610 | Pa×s | 463.69 | Calculated Property |
| η | 0.0002120 | Pa×s | 492.35 | Calculated Property |
| η | 0.0001762 | Pa×s | 521.02 | Calculated Property |
Similar Compounds
Find more compounds similar to (E,E,E)-2,4,7-tridecatrienal.
Sources
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