- InChI
- InChI=1S/C12H24/c1-3-4-5-9-12-10-7-6-8-11(12)2/h11-12H,3-10H2,1-2H3
- InChI Key
- NBAUUOZAFSUJPB-UHFFFAOYSA-N
- Formula
- C12H24
- SMILES
- CCCCCC1CCCCC1C
- Molecular Weight1
- 168.32
- CAS
- 54411-01-7
- 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 | 0.3935 | Relay (1.0) Calculated Property | |
| ΔfG° | 66.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -238.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.393 | Crippen Calculated Property | |
| McVol | 169.080 | ml/mol | McGowan Calculated Property |
| Pc | 2069.88 | kPa | Joback Calculated Property |
| Tboil | [490.40; 490.60] | K |
|
| Tboil | 490.40 ± 4.00 | K | NIST |
| Tboil | 490.60 ± 4.00 | K | NIST |
| Tc | 684.98 | K | Relay (1.0) Calculated Property |
| Tfus | 200.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.615 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [224.19; 630.15] | 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 | -6.76860e+01 | |||
| Coefficient B | 1.23944e+00 | |||
| Coefficient C | -6.54600e-04 | |||
| Coefficient D | 1.13000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 224.19 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 293.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 356.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 412.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 462.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 506.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 544.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 577.94 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 606.29 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 630.15 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0053664; 0.0002644] | Pa×s | [228.14; 476.77] |
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 | -1.10001e+01 | |||
| Coefficient B | 1.31694e+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. | 228.14 | |||
| Temperature range, max. | 476.77 | |||
| η | 0.0053664 | Pa×s | 228.14 | Calculated Property |
| η | 0.0028768 | Pa×s | 255.77 | Calculated Property |
| η | 0.0017415 | Pa×s | 283.39 | Calculated Property |
| η | 0.0011525 | Pa×s | 311.02 | Calculated Property |
| η | 0.0008159 | Pa×s | 338.64 | Calculated Property |
| η | 0.0006085 | Pa×s | 366.27 | Calculated Property |
| η | 0.0004729 | Pa×s | 393.89 | Calculated Property |
| η | 0.0003798 | Pa×s | 421.52 | Calculated Property |
| η | 0.0003134 | Pa×s | 449.14 | Calculated Property |
| η | 0.0002644 | Pa×s | 476.77 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, 1-methyl-2-pentyl-.
Sources
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