- InChI
- InChI=1S/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3
- InChI Key
- QRMPKOFEUHIBNM-UHFFFAOYSA-N
- Formula
- C8H16
- SMILES
- CC1CCC(C)CC1
- Molecular Weight1
- 112.21
- CAS
- 589-90-2
- 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).
- Pvap : Vapor 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 | 0.2654 | Relay (1.0) Calculated Property | |
| ΔfG° | 33.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -167.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.47 | Aq. Solubility Prediction | |
| logPoct/wat | 2.833 | Crippen Calculated Property | |
| McVol | 112.720 | ml/mol | McGowan Calculated Property |
| Pc | 3038.96 | kPa | Joback Calculated Property |
| Tboil | 398.04 | K | Relay (1.0) Calculated Property |
| Tc | 577.48 | K | Relay (1.0) Calculated Property |
| Tfus | 202.72 | K | Aq. Solubility Prediction |
| Vc | 0.412 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [139.34; 423.79] | 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 | -6.40500e+01 | |||
| Coefficient B | 8.59440e-01 | |||
| Coefficient C | -4.37000e-04 | |||
| Coefficient D | 6.54000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 139.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 188.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 232.27 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 271.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 306.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 337.75 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 364.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 387.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 407.51 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 423.79 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025513; 0.0002333] | Pa×s | [202.72; 418.58] |
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 | -1.06096e+01 | |||
| Coefficient B | 9.40300e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 202.72 | |||
| Temperature range, max. | 418.58 | |||
| η | 0.0025513 | Pa×s | 202.72 | Calculated Property |
| η | 0.0015619 | Pa×s | 226.70 | Calculated Property |
| η | 0.0010503 | Pa×s | 250.69 | Calculated Property |
| η | 0.0007569 | Pa×s | 274.67 | Calculated Property |
| η | 0.0005750 | Pa×s | 298.66 | Calculated Property |
| η | 0.0004550 | Pa×s | 322.64 | Calculated Property |
| η | 0.0003719 | Pa×s | 346.63 | Calculated Property |
| η | 0.0003120 | Pa×s | 370.61 | Calculated Property |
| η | 0.0002674 | Pa×s | 394.59 | Calculated Property |
| η | 0.0002333 | Pa×s | 418.58 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [289.22; 419.98] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.44557e+01 | |||
| Coefficient B | -3.37214e+03 | |||
| Coefficient C | -5.12100e+01 | |||
| Temperature range, min. | 289.22 | |||
| Temperature range, max. | 419.98 | |||
| Pvap | 1.33 | kPa | 289.22 | Calculated Property |
| Pvap | 3.01 | kPa | 303.75 | Calculated Property |
| Pvap | 6.23 | kPa | 318.28 | Calculated Property |
| Pvap | 11.95 | kPa | 332.81 | Calculated Property |
| Pvap | 21.50 | kPa | 347.34 | Calculated Property |
| Pvap | 36.62 | kPa | 361.86 | Calculated Property |
| Pvap | 59.48 | kPa | 376.39 | Calculated Property |
| Pvap | 92.69 | kPa | 390.92 | Calculated Property |
| Pvap | 139.26 | kPa | 405.45 | Calculated Property |
| Pvap | 202.63 | kPa | 419.98 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Dimethylcyclohexane.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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