- InChI
- InChI=1S/C10H20/c1-8(2)10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3/t9-,10-
- InChI Key
- CFJYNSNXFXLKNS-MGCOHNPYSA-N
- Formula
- C10H20
- SMILES
- CC(C)[C@H]1CC[C@H](C)CC1
- Molecular Weight1
- 140.27
- CAS
- 1678-82-6
- Other Names
-
- 1-Isopropyl-4-methyl-cyclohexane, trans
- 1-Methyl-4-(1-methylethyl)-cyclohexane, trans
- 1-Methyl-trans-4-isopropylcyclohexane
- Cyclohexane, 1-methyl-4-isopropyl, trans
- p-Menthane E
- p-Menthane, trans-
- trans-1-Isopropyl-4-methylcyclohexane
- trans-1-Methyl-4-isopropylcyclohexane
- trans-p-Menthane
- 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).
- Inp : Non-polar retention indices.
- Ip : 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 | 0.2598 | Relay (1.0) Calculated Property | |
| ΔfG° | 47.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -185.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | NIST |
| log10WS | -5.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.469 | Crippen Calculated Property | |
| McVol | 140.900 | ml/mol | McGowan Calculated Property |
| Pc | 2505.01 | kPa | Joback Calculated Property |
| Inp | [945.00; 1017.00] |
|
|
| Inp | 979.40 | NIST | |
| Inp | 983.90 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | Outlier 1017.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | Outlier 945.00 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | Outlier 945.00 | NIST | |
| Inp | 979.40 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 970.00 | NIST | |
| Ip | 1035.00 | NIST | |
| Tboil | [443.73; 443.80] | K |
|
| Tboil | 443.80 | K | NIST |
| Tboil | 443.73 ± 0.30 | K | NIST |
| Tc | 644.65 | K | Relay (1.0) Calculated Property |
| Tfus | [186.78; 186.80] | K |
|
| Tfus | 186.78 ± 0.03 | K | NIST |
| Tfus | 186.79 ± 0.02 | K | NIST |
| Tfus | 186.80 ± 0.01 | K | NIST |
| Vc | 0.532 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [181.45; 527.51] | 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 | -6.75500e+01 | |||
| Coefficient B | 1.05536e+00 | |||
| Coefficient C | -5.49000e-04 | |||
| Coefficient D | 8.87000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 181.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 241.03 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 294.67 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 342.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 385.26 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 422.78 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 455.48 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 483.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 507.57 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 527.51 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0093370; 0.0002409] | Pa×s | [186.79; 450.80] |
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 | -1.09184e+01 | |||
| Coefficient B | 1.16644e+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. | 186.79 | |||
| Temperature range, max. | 450.80 | |||
| η | 0.0093370 | Pa×s | 186.79 | Calculated Property |
| η | 0.0040004 | Pa×s | 216.12 | Calculated Property |
| η | 0.0020989 | Pa×s | 245.46 | Calculated Property |
| η | 0.0012638 | Pa×s | 274.79 | Calculated Property |
| η | 0.0008392 | Pa×s | 304.13 | Calculated Property |
| η | 0.0005989 | Pa×s | 333.46 | Calculated Property |
| η | 0.0004513 | Pa×s | 362.80 | Calculated Property |
| η | 0.0003548 | Pa×s | 392.13 | Calculated Property |
| η | 0.0002885 | Pa×s | 421.47 | Calculated Property |
| η | 0.0002409 | Pa×s | 450.80 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [327.50; 472.69] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.44114e+01 | |||
| Coefficient B | -3.71437e+03 | |||
| Coefficient C | -6.45120e+01 | |||
| Temperature range, min. | 327.50 | |||
| Temperature range, max. | 472.69 | |||
| Pvap | 1.33 | kPa | 327.50 | Calculated Property |
| Pvap | 3.02 | kPa | 343.63 | Calculated Property |
| Pvap | 6.24 | kPa | 359.76 | Calculated Property |
| Pvap | 11.97 | kPa | 375.90 | Calculated Property |
| Pvap | 21.55 | kPa | 392.03 | Calculated Property |
| Pvap | 36.70 | kPa | 408.16 | Calculated Property |
| Pvap | 59.58 | kPa | 424.29 | Calculated Property |
| Pvap | 92.80 | kPa | 440.43 | Calculated Property |
| Pvap | 139.36 | kPa | 456.56 | Calculated Property |
| Pvap | 202.65 | kPa | 472.69 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, 1-methyl-4-(1-methylethyl)-, trans-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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