- InChI
- InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D
- InChI Key
- UAEPNZWRGJTJPN-OBYKGMMLSA-N
- Formula
- C7D14
- SMILES
- CC1CCCCC1
- Molecular Weight1
- 112.27
- 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 | 0.2168 | Relay (1.0) Calculated Property | |
| ΔfG° | 32.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -139.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 5.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.587 | Crippen Calculated Property | |
| McVol | 98.630 | ml/mol | McGowan Calculated Property |
| Pc | 3522.09 | kPa | Joback Calculated Property |
| Inp | [732.00; 732.00] |
|
|
| Inp | 732.00 | NIST | |
| Inp | 732.00 | NIST | |
| Tboil | 370.50 | K | Relay (1.0) Calculated Property |
| Tc | 574.79 | K | Relay (1.0) Calculated Property |
| Tfus | 180.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.354 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [115.86; 365.54] | 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 | -6.90800e+01 | |||
| Coefficient B | 7.90920e-01 | |||
| Coefficient C | -4.38000e-04 | |||
| Coefficient D | 8.17000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 115.86 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 159.53 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 198.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 233.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 264.06 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 290.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 314.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 334.31 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 351.31 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 365.54 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0077565; 0.0002276] | Pa×s | [176.03; 407.35] |
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 | -1.10731e+01 | |||
| Coefficient B | 1.09383e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 176.03 | |||
| Temperature range, max. | 407.35 | |||
| η | 0.0077565 | Pa×s | 176.03 | Calculated Property |
| η | 0.0035142 | Pa×s | 201.73 | Calculated Property |
| η | 0.0019042 | Pa×s | 227.44 | Calculated Property |
| η | 0.0011685 | Pa×s | 253.14 | Calculated Property |
| η | 0.0007846 | Pa×s | 278.84 | Calculated Property |
| η | 0.0005635 | Pa×s | 304.54 | Calculated Property |
| η | 0.0004261 | Pa×s | 330.25 | Calculated Property |
| η | 0.0003354 | Pa×s | 355.95 | Calculated Property |
| η | 0.0002727 | Pa×s | 381.65 | Calculated Property |
| η | 0.0002276 | Pa×s | 407.35 | Calculated Property |
Similar Compounds
Find more compounds similar to Methylcyclohexane-d14.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Miscibility behavior of trihexyl(tetradecyl)phosphonium tetrafluoroborate with cyclic hydrocarbons
- Joback Method
- McGowan Method
- NIST Webbook
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