- InChI
- InChI=1S/C11H22/c1-9-5-7-10(8-6-9)11(2,3)4/h9-10H,5-8H2,1-4H3
- InChI Key
- YCLKWKCHQLIGTA-UHFFFAOYSA-N
- Formula
- C11H22
- SMILES
- CC1CCC(C(C)(C)C)CC1
- Molecular Weight1
- 154.29
- CAS
- 75736-66-2
- 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 | 0.2855 | Relay (1.0) Calculated Property | |
| ΔfG° | 61.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -200.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.859 | Crippen Calculated Property | |
| McVol | 154.990 | ml/mol | McGowan Calculated Property |
| Pc | 2304.74 | kPa | Joback Calculated Property |
| Tboil | [459.87; 461.89] | K |
|
| Tboil | 459.87 ± 1.00 | K | NIST |
| Tboil | 461.89 ± 1.00 | K | NIST |
| Tc | 649.98 | K | Relay (1.0) Calculated Property |
| Tfus | 241.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.540 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.52; 580.03] | 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 | -9.12500e+01 | |||
| Coefficient B | 1.27028e+00 | |||
| Coefficient C | -7.72000e-04 | |||
| Coefficient D | 1.73000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 201.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 269.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 329.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 382.02 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 428.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 468.53 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 503.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 533.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 558.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 580.03 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0086592; 0.0002478] | Pa×s | [219.29; 469.11] |
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 | -1.14221e+01 | |||
| Coefficient B | 1.46332e+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. | 219.29 | |||
| Temperature range, max. | 469.11 | |||
| η | 0.0086592 | Pa×s | 219.29 | Calculated Property |
| η | 0.0040913 | Pa×s | 247.05 | Calculated Property |
| η | 0.0022492 | Pa×s | 274.81 | Calculated Property |
| η | 0.0013800 | Pa×s | 302.56 | Calculated Property |
| η | 0.0009191 | Pa×s | 330.32 | Calculated Property |
| η | 0.0006520 | Pa×s | 358.08 | Calculated Property |
| η | 0.0004859 | Pa×s | 385.84 | Calculated Property |
| η | 0.0003767 | Pa×s | 413.59 | Calculated Property |
| η | 0.0003016 | Pa×s | 441.35 | Calculated Property |
| η | 0.0002478 | Pa×s | 469.11 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, 1-(1,1-dimethylethyl)-4-methyl-.
Sources
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