- InChI
- InChI=1S/C11H18O/c1-2-3-4-5-6-7-8-9-10-11-12/h6-7,9-11H,2-5,8H2,1H3/b7-6+,10-9+
- InChI Key
- XCXOPZBEPMNLSI-AVQMFFATSA-N
- Formula
- C11H18O
- SMILES
- CCCCCC=CCC=CC=O
- Molecular Weight1
- 166.26
- 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 | 0.4534 | Relay (1.0) Calculated Property | |
| ΔfG° | 102.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -186.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.268 | Crippen Calculated Property | |
| McVol | 158.820 | ml/mol | McGowan Calculated Property |
| Pc | 2276.24 | kPa | Joback Calculated Property |
| Inp | [1352.00; 1352.00] |
|
|
| Inp | 1352.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Tboil | 499.06 | K | Relay (1.0) Calculated Property |
| Tc | 695.06 | K | Relay (1.0) Calculated Property |
| Tfus | 234.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.568 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.74; 516.44] | 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 | -2.40750e+01 | |||
| Coefficient B | 1.06332e+00 | |||
| Coefficient C | -7.35200e-04 | |||
| Coefficient D | 2.12400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 215.74 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 269.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 316.59 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 357.71 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 393.52 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 424.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 451.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 475.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 497.11 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 516.44 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0044691; 0.0002252] | Pa×s | [245.57; 483.45] |
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 | -1.14834e+01 | |||
| Coefficient B | 1.49131e+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. | 245.57 | |||
| Temperature range, max. | 483.45 | |||
| η | 0.0044691 | Pa×s | 245.57 | Calculated Property |
| η | 0.0024770 | Pa×s | 272.00 | Calculated Property |
| η | 0.0015242 | Pa×s | 298.43 | Calculated Property |
| η | 0.0010150 | Pa×s | 324.86 | Calculated Property |
| η | 0.0007186 | Pa×s | 351.29 | Calculated Property |
| η | 0.0005339 | Pa×s | 377.73 | Calculated Property |
| η | 0.0004124 | Pa×s | 404.16 | Calculated Property |
| η | 0.0003288 | Pa×s | 430.59 | Calculated Property |
| η | 0.0002691 | Pa×s | 457.02 | Calculated Property |
| η | 0.0002252 | Pa×s | 483.45 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-undecadienal.
Sources
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