- InChI
- InChI=1S/C12H22/c1-2-3-4-5-6-9-12-10-7-8-11-12/h2,12H,1,3-11H2
- InChI Key
- BPCUPKBZIJNMGL-UHFFFAOYSA-N
- Formula
- C12H22
- SMILES
- C=CCCCCCC1CCCC1
- Molecular Weight1
- 166.31
- 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 | 0.4259 | Relay (1.0) Calculated Property | |
| ΔfG° | 174.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -136.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.313 | Crippen Calculated Property | |
| McVol | 164.780 | ml/mol | McGowan Calculated Property |
| Pc | 2167.36 | kPa | Joback Calculated Property |
| Inp | 1224.70 | NIST | |
| Tboil | 500.50 | K | Relay (1.0) Calculated Property |
| Tc | 697.79 | K | Relay (1.0) Calculated Property |
| Tfus | 211.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.597 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.01; 593.20] | 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 | -7.14950e+01 | |||
| Coefficient B | 1.25550e+00 | |||
| Coefficient C | -7.79300e-04 | |||
| Coefficient D | 1.88500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 217.01 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 283.48 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 342.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 394.35 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 439.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 479.74 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 514.38 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 544.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 570.51 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 593.21 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0049306; 0.0003081] | Pa×s | [234.14; 472.81] |
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 | -1.08052e+01 | |||
| Coefficient B | 1.28610e+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. | 234.14 | |||
| Temperature range, max. | 472.81 | |||
| η | 0.0049306 | Pa×s | 234.14 | Calculated Property |
| η | 0.0028197 | Pa×s | 260.66 | Calculated Property |
| η | 0.0017879 | Pa×s | 287.18 | Calculated Property |
| η | 0.0012244 | Pa×s | 313.70 | Calculated Property |
| η | 0.0008895 | Pa×s | 340.21 | Calculated Property |
| η | 0.0006767 | Pa×s | 366.73 | Calculated Property |
| η | 0.0005342 | Pa×s | 393.25 | Calculated Property |
| η | 0.0004345 | Pa×s | 419.77 | Calculated Property |
| η | 0.0003622 | Pa×s | 446.29 | Calculated Property |
| η | 0.0003081 | Pa×s | 472.81 | Calculated Property |
Similar Compounds
Find more compounds similar to 6-Heptenylcyclopentane.
Sources
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