- InChI
- InChI=1S/C12H22/c1-2-3-4-6-9-12-10-7-5-8-11-12/h7,10,12H,2-6,8-9,11H2,1H3
- InChI Key
- OQKLIIQHYMWPMF-UHFFFAOYSA-N
- Formula
- C12H22
- SMILES
- CCCCCCC1C=CCCC1
- Molecular Weight1
- 166.31
- Other Names
-
- 3-hexyl-1-cyclohexene
- 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.
- Ip : 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 | 0.3966 | Relay (1.0) Calculated Property | |
| ΔfG° | 104.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -148.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 ± 0.01 | eV | NIST |
| log10WS | -5.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.313 | Crippen Calculated Property | |
| McVol | 164.780 | ml/mol | McGowan Calculated Property |
| Pc | 2206.22 | kPa | Joback Calculated Property |
| Inp | 1243.00 | NIST | |
| Ip | [1344.30; 1423.00] |
|
|
| Ip | Outlier 1344.30 | NIST | |
| Ip | 1352.00 | NIST | |
| Ip | 1355.70 | NIST | |
| Ip | 1390.00 | NIST | |
| Ip | 1401.00 | NIST | |
| Ip | 1406.00 | NIST | |
| Ip | 1417.00 | NIST | |
| Ip | 1423.00 | NIST | |
| Ip | 1375.00 | NIST | |
| Ip | 1381.00 | NIST | |
| Ip | 1387.00 | NIST | |
| Ip | 1392.00 | NIST | |
| Ip | 1398.00 | NIST | |
| Ip | 1403.00 | NIST | |
| Ip | 1409.00 | NIST | |
| Ip | 1375.20 | NIST | |
| Ip | 1381.00 | NIST | |
| Ip | 1386.70 | NIST | |
| Ip | 1392.30 | NIST | |
| Ip | 1397.90 | NIST | |
| Ip | 1402.80 | NIST | |
| Ip | 1409.20 | NIST | |
| Ip | 1390.00 | NIST | |
| Tboil | 492.63 | K | Relay (1.0) Calculated Property |
| Tc | 677.46 | K | Relay (1.0) Calculated Property |
| Tfus | 221.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.613 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.45; 592.20] | 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 | -6.58450e+01 | |||
| Coefficient B | 1.20992e+00 | |||
| Coefficient C | -6.97280e-04 | |||
| Coefficient D | 1.45400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 215.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 281.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 340.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 392.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 438.42 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 478.75 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 513.83 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 544.13 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 570.09 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 592.20 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0064172; 0.0002498] | Pa×s | [233.14; 480.92] |
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 | -1.13492e+01 | |||
| Coefficient B | 1.46887e+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. | 233.14 | |||
| Temperature range, max. | 480.92 | |||
| η | 0.0064172 | Pa×s | 233.14 | Calculated Property |
| η | 0.0032988 | Pa×s | 260.67 | Calculated Property |
| η | 0.0019256 | Pa×s | 288.20 | Calculated Property |
| η | 0.0012347 | Pa×s | 315.73 | Calculated Property |
| η | 0.0008502 | Pa×s | 343.26 | Calculated Property |
| η | 0.0006188 | Pa×s | 370.80 | Calculated Property |
| η | 0.0004706 | Pa×s | 398.33 | Calculated Property |
| η | 0.0003708 | Pa×s | 425.86 | Calculated Property |
| η | 0.0003007 | Pa×s | 453.39 | Calculated Property |
| η | 0.0002498 | Pa×s | 480.92 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexene, 3-hexyl-.
Sources
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