- InChI
- InChI=1S/C12H24/c1-2-3-9-12-10-7-5-4-6-8-11-12/h12H,2-11H2,1H3
- InChI Key
- MBACTSHRHMTZMA-UHFFFAOYSA-N
- Formula
- C12H24
- SMILES
- CCCCC1CCCCCCC1
- Molecular Weight1
- 168.32
- 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).
- 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 | 0.3392 | Relay (1.0) Calculated Property | |
| ΔfG° | 50.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -252.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.537 | Crippen Calculated Property | |
| McVol | 169.080 | ml/mol | McGowan Calculated Property |
| Pc | 2235.52 | kPa | Joback Calculated Property |
| Tboil | 501.66 | K | Relay (1.0) Calculated Property |
| Tc | 698.69 | K | Relay (1.0) Calculated Property |
| Tfus | 213.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.598 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.14; 627.05] | 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 | -8.38670e+01 | |||
| Coefficient B | 1.24672e+00 | |||
| Coefficient C | -6.17200e-04 | |||
| Coefficient D | 8.14000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 212.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 283.55 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 348.03 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 405.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 457.24 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 502.48 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 541.83 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 575.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 603.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 627.05 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0204468; 0.0001640] | Pa×s | [225.34; 496.41] |
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 | -1.27271e+01 | |||
| Coefficient B | 1.99137e+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. | 225.34 | |||
| Temperature range, max. | 496.41 | |||
| η | 0.0204468 | Pa×s | 225.34 | Calculated Property |
| η | 0.0072132 | Pa×s | 255.46 | Calculated Property |
| η | 0.0031701 | Pa×s | 285.58 | Calculated Property |
| η | 0.0016299 | Pa×s | 315.70 | Calculated Property |
| η | 0.0009409 | Pa×s | 345.82 | Calculated Property |
| η | 0.0005932 | Pa×s | 375.93 | Calculated Property |
| η | 0.0004005 | Pa×s | 406.05 | Calculated Property |
| η | 0.0002854 | Pa×s | 436.17 | Calculated Property |
| η | 0.0002125 | Pa×s | 466.29 | Calculated Property |
| η | 0.0001640 | Pa×s | 496.41 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclooctane, butyl-.
Sources
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