- InChI
- InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
- InChI Key
- GWESVXSMPKAFAS-UHFFFAOYSA-N
- Formula
- C9H18
- SMILES
- CC(C)C1CCCCC1
- Molecular Weight1
- 126.24
- CAS
- 696-29-7
- Other Names
-
- (1-METHYLETHYL)CYCLOHEXANE
- Cyclohexane, isopropyl-
- HEXAHYDROCUMENE
- Isopropylcyclohexane
- NORMANTHANE
- cyclohexane, 1-methylethyl-
- ω : Acentric Factor.
- AP : Aniline Point (K).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- μ : Dipole Moment (debye).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- Δc,grossH : Heat of Combustion, Gross form (kJ/mol).
- Δc,netH : Heat of Combustion, Net Form (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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- 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 | 0.2370 | KDB | |
| AP | 322.050 | K | KDB |
| μ | 0.00 | debye | KDB |
| ΔfG° | 46.91 | kJ/mol | Joback Calculated Property |
| Δc,grossH | 5885.22 | kJ/mol | KDB |
| Δc,netH | 5488.990 | kJ/mol | KDB |
| ΔfH°gas | -180.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.04 | kJ/mol | NIST |
| IE | [9.33; 9.55] | eV |
|
| IE | 9.33 | eV | NIST |
| IE | 9.55 ± 0.03 | eV | NIST |
| log10WS | -3.00 | Crippen Calculated Property | |
| logPoct/wat | 3.223 | Crippen Calculated Property | |
| McVol | 126.810 | ml/mol | McGowan Calculated Property |
| Pc | 2830.00 | kPa | KDB |
| Inp | [908.00; 936.00] |
|
|
| Inp | 926.00 | NIST | |
| Inp | 929.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 921.20 | NIST | |
| Inp | 926.10 | NIST | |
| Inp | 931.00 | NIST | |
| Inp | 933.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 927.00 | NIST | |
| Inp | 930.00 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 936.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 919.00 | NIST | |
| Inp | 921.00 | NIST | |
| Inp | 925.00 | NIST | |
| Inp | 929.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 934.00 | NIST | |
| Inp | 923.00 | NIST | |
| Inp | 934.00 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | 934.00 | NIST | |
| Inp | 917.30 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 916.90 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | 917.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 908.00 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 917.00 | NIST | |
| Inp | 920.00 | NIST | |
| Tboil | [419.00; 428.20] | K |
|
| Tboil | 427.70 | K | KDB |
| Tboil | 428.20 | K | NIST |
| Tboil | 426.65 ± 1.50 | K | NIST |
| Tboil | 427.45 ± 0.50 | K | NIST |
| Tboil | 427.71 ± 0.03 | K | NIST |
| Tboil | 427.70 ± 0.20 | K | NIST |
| Tboil | 427.71 ± 0.20 | K | NIST |
| Tboil | 427.72 ± 0.30 | K | NIST |
| Tboil | 427.00 ± 4.00 | K | NIST |
| Tboil | 427.80 ± 0.50 | K | NIST |
| Tboil | 427.15 ± 1.00 | K | NIST |
| Tboil | 427.55 ± 0.30 | K | NIST |
| Tboil | 427.65 ± 0.30 | K | NIST |
| Tboil | 427.65 ± 0.20 | K | NIST |
| Tboil | 425.50 ± 2.00 | K | NIST |
| Tboil | 427.90 ± 0.50 | K | NIST |
| Tboil | 421.65 ± 4.00 | K | NIST |
| Tboil | 428.15 ± 6.00 | K | NIST |
| Tboil | Outlier 419.00 ± 6.00 | K | NIST |
| Tboil | 421.65 ± 2.00 | K | NIST |
| Tc | [632.20; 640.00] | K |
|
| Tc | 640.00 | K | KDB |
| Tc | 632.20 | K | Gas-Liq... |
| Tfus | [182.75; 183.40] | K |
|
| Tfus | 183.40 | K | KDB |
| Tfus | 182.75 ± 0.30 | K | NIST |
| Tfus | 183.35 ± 0.30 | K | NIST |
| Tfus | 183.35 ± 0.20 | K | NIST |
| Vc | 0.467 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [255.22; 356.32] | J/mol×K | [424.43; 628.17] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 260 280 300 320 340 360 450 500 550 600 | ||||
| Cp,gas | 255.22 | J/mol×K | 424.43 | Joback Calculated Property |
| Cp,gas | 274.32 | J/mol×K | 458.39 | Joback Calculated Property |
| Cp,gas | 292.50 | J/mol×K | 492.34 | Joback Calculated Property |
| Cp,gas | 309.76 | J/mol×K | 526.30 | Joback Calculated Property |
| Cp,gas | 326.13 | J/mol×K | 560.26 | Joback Calculated Property |
| Cp,gas | 341.65 | J/mol×K | 594.22 | Joback Calculated Property |
| Cp,gas | 356.32 | J/mol×K | 628.17 | Joback Calculated Property |
| η | [0.0002629; 0.0155571] | Pa×s | [183.57; 424.43] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 2.00e-3 4.00e-3 6.00e-3 8.00e-3 0.01 0.01 0.01 0.02 200 300 400 | ||||
| η | 0.0155571 | Pa×s | 183.57 | Joback Calculated Property |
| η | 0.0042812 | Pa×s | 223.71 | Joback Calculated Property |
| η | 0.0017447 | Pa×s | 263.86 | Joback Calculated Property |
| η | 0.0009012 | Pa×s | 304.00 | Joback Calculated Property |
| η | 0.0005431 | Pa×s | 344.14 | Joback Calculated Property |
| η | 0.0003638 | Pa×s | 384.29 | Joback Calculated Property |
| η | 0.0002629 | Pa×s | 424.43 | Joback Calculated Property |
| ΔvapH | [41.10; 44.10] | kJ/mol | [363.00; 386.50] |
|
| ΔvapH | 44.10 | kJ/mol | 363.00 | NIST |
| ΔvapH | 41.10 | kJ/mol | 386.50 | NIST |
| n0 | 1.43861 | 298.15 | KDB | |
| ρl | [762.78; 802.14] | kg/m3 | [293.00; 343.15] |
|
|
T(K) Liquid Density (kg/m3) 760 770 780 790 800 300 320 340 | ||||
| ρl | 802.00 | kg/m3 | 293.00 | KDB |
| ρl | 802.14 | kg/m3 | 293.15 | Densiti... |
| ρl | 802.11 | kg/m3 | 293.15 | Densiti... |
| ρl | 798.22 | kg/m3 | 298.15 | Densiti... |
| ρl | 798.24 | kg/m3 | 298.15 | Densiti... |
| ρl | 798.22 | kg/m3 | 298.15 | Densiti... |
| ρl | 794.34 | kg/m3 | 303.15 | Densiti... |
| ρl | 794.32 | kg/m3 | 303.15 | Densiti... |
| ρl | 794.32 | kg/m3 | 303.15 | Densiti... |
| ρl | 790.41 | kg/m3 | 308.15 | Densiti... |
| ρl | 790.43 | kg/m3 | 308.15 | Densiti... |
| ρl | 790.41 | kg/m3 | 308.15 | Densiti... |
| ρl | 786.50 | kg/m3 | 313.15 | Densiti... |
| ρl | 786.51 | kg/m3 | 313.15 | Densiti... |
| ρl | 786.50 | kg/m3 | 313.15 | Densiti... |
| ρl | 782.57 | kg/m3 | 318.15 | Densiti... |
| ρl | 782.57 | kg/m3 | 318.15 | Densiti... |
| ρl | 782.59 | kg/m3 | 318.15 | Densiti... |
| ρl | 778.66 | kg/m3 | 323.15 | Densiti... |
| ρl | 778.64 | kg/m3 | 323.15 | Densiti... |
| ρl | 778.63 | kg/m3 | 323.15 | Densiti... |
| ρl | 774.69 | kg/m3 | 328.15 | Densiti... |
| ρl | 774.72 | kg/m3 | 328.15 | Densiti... |
| ρl | 774.69 | kg/m3 | 328.15 | Densiti... |
| ρl | 770.77 | kg/m3 | 333.15 | Densiti... |
| ρl | 770.73 | kg/m3 | 333.15 | Densiti... |
| ρl | 770.73 | kg/m3 | 333.15 | Densiti... |
| ρl | 766.76 | kg/m3 | 338.15 | Densiti... |
| ρl | 766.81 | kg/m3 | 338.15 | Densiti... |
| ρl | 762.84 | kg/m3 | 343.15 | Densiti... |
| ρl | 762.78 | kg/m3 | 343.15 | Densiti... |
| ρl | 762.78 | kg/m3 | 343.15 | Densiti... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [310.51; 454.59] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.44998e+01 | |||
| Coefficient B | -3.74505e+03 | |||
| Coefficient C | -4.70030e+01 | |||
| Temperature range, min. | 310.51 | |||
| Temperature range, max. | 454.59 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400 450 | ||||
| Pvap | 1.33 | kPa | 310.51 | Calculated Property |
| Pvap | 3.01 | kPa | 326.52 | Calculated Property |
| Pvap | 6.22 | kPa | 342.53 | Calculated Property |
| Pvap | 11.92 | kPa | 358.54 | Calculated Property |
| Pvap | 21.46 | kPa | 374.55 | Calculated Property |
| Pvap | 36.56 | kPa | 390.55 | Calculated Property |
| Pvap | 59.39 | kPa | 406.56 | Calculated Property |
| Pvap | 92.59 | kPa | 422.57 | Calculated Property |
| Pvap | 139.19 | kPa | 438.58 | Calculated Property |
| Pvap | 202.65 | kPa | 454.59 | Calculated Property |
| Pvap | [2.99e-06; 2946.23] | kPa | [183.76; 640.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 8.16195e+01 | |||
| Coefficient B | -8.01121e+03 | |||
| Coefficient C | -9.76424e+00 | |||
| Coefficient D | 4.82817e-06 | |||
| Temperature range, min. | 183.76 | |||
| Temperature range, max. | 640.00 | |||
|
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 200 400 600 | ||||
| Pvap | 2.99e-06 | kPa | 183.76 | Calculated Property |
| Pvap | 3.81e-03 | kPa | 234.45 | Calculated Property |
| Pvap | 0.28 | kPa | 285.15 | Calculated Property |
| Pvap | 4.55 | kPa | 335.84 | Calculated Property |
| Pvap | 31.42 | kPa | 386.53 | Calculated Property |
| Pvap | 127.58 | kPa | 437.23 | Calculated Property |
| Pvap | 367.86 | kPa | 487.92 | Calculated Property |
| Pvap | 844.82 | kPa | 538.61 | Calculated Property |
| Pvap | 1663.00 | kPa | 589.31 | Calculated Property |
| Pvap | 2946.23 | kPa | 640.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, (1-methylethyl)-.
Mixtures
- Cyclohexane, (1-methylethyl)- + Naphthalene, 1,2,3,4-tetrahydro-
- Cyclohexane, (1-methylethyl)- + Cyclopropyl carbinol
- Cyclohexane, (1-methylethyl)- + Naphthalene, 1,2,3,4-tetrahydro- + Cyclopropyl carbinol
- Cyclohexane, (1-methylethyl)- + 4,7-Methano-1H-indene, octahydro-
- Cyclohexane, (1-methylethyl)- + Dodecanoic acid, methyl ester
- Cyclohexane, (1-methylethyl)- + Dodecanoic acid, methyl ester + 4,7-Methano-1H-indene, octahydro-
Sources
- KDB Pure (Korean Thermophysical Properties Databank)
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Densities and Viscosities for the Ternary System of 1,2,3,4-Tetrahydronaphthalene + Isopropylcyclohexane + Cyclopropanemethanol and Corresponding Binaries at T = (293.15 to 343.15) K
- Densities and Viscosities for the Ternary Mixtures of exo-Tetrahydrodicyclopentadiene (1) + Isopropylcyclohexane (2) + Methyl Laurate (3) and Corresponding Binaries
- Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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