- InChI
- InChI=1S/C8H16/c1-6-4-7(2)8(3)5-6/h6-8H,4-5H2,1-3H3/t7-,8-/m1/s1
- InChI Key
- PNUFYSGVPVMNRN-HTQZYQBOSA-N
- Formula
- C8H16
- SMILES
- CC1CC(C)C(C)C1
- Molecular Weight1
- 112.21
- CAS
- 16883-48-0
- Other Names
-
- (1«alpha»,2«beta»,4«alpha»)-1,2,4-trimethylcyclopentane
- 1,2,4-Trimethylcyclopentane, trans, trans
- 1-trans-2,cis-4-Trimethylcyclopentane
- 1-trans-2-cis-4-Trimethylcyclopentane
- 1-trans-2-trans-4-Trimethylcyclopentane
- 1«alpha»,2«beta»,4«alpha»-Trimethylcyclopentane
- Cyclopentane, 1,2,4-trimethyl-, trans,cis-
- cis,trans,cis-l,2,4-Trimethylcyclopentane
- cis,trans,cis-1,2,4-Trimethylcyclopentane
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2459 | Passut and Danner (1973), critical constants and acentric factors Compiled value | |
| ΔfH°gas | -162.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.688 | Crippen Calculated Property | |
| McVol | 112.720 | ml/mol | McGowan Calculated Property |
| Pc | 2811.68 | kPa | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Inp | [725.90; 759.00] |
|
|
| Inp | 738.00 | NIST | |
| Inp | 732.00 | NIST | |
| Inp | 744.10 | NIST | |
| Inp | 738.00 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | 744.00 | NIST | |
| Inp | 740.50 | NIST | |
| Inp | 743.90 | NIST | |
| Inp | 738.40 | NIST | |
| Inp | 740.10 | NIST | |
| Inp | 741.80 | NIST | |
| Inp | 743.30 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | 736.00 | NIST | |
| Inp | 738.00 | NIST | |
| Inp | 739.00 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | 743.00 | NIST | |
| Inp | 744.00 | NIST | |
| Inp | 744.20 | NIST | |
| Inp | 745.10 | NIST | |
| Inp | 745.20 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | 744.00 | NIST | |
| Inp | 739.00 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | 742.00 | NIST | |
| Inp | 744.00 | NIST | |
| Inp | 746.00 | NIST | |
| Inp | 741.30 | NIST | |
| Inp | 739.00 | NIST | |
| Inp | Outlier 759.00 | NIST | |
| Inp | 738.00 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | 744.00 | NIST | |
| Inp | 748.00 | NIST | |
| Inp | 740.40 | NIST | |
| Inp | Outlier 725.90 | NIST | |
| Inp | 737.80 | NIST | |
| Inp | 735.05 | NIST | |
| Inp | 735.35 | NIST | |
| Inp | 735.37 | NIST | |
| Inp | 735.00 | NIST | |
| Inp | 749.00 | NIST | |
| Inp | 739.00 | NIST | |
| Inp | 744.00 | NIST | |
| Inp | 736.00 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | 740.40 | NIST | |
| Inp | 741.30 | NIST | |
| Inp | 742.70 | NIST | |
| Inp | 743.90 | NIST | |
| Inp | 745.00 | NIST | |
| Inp | 745.90 | NIST | |
| Inp | Outlier 730.00 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | 743.00 | NIST | |
| Inp | 744.00 | NIST | |
| Inp | 745.00 | NIST | |
| Inp | 746.00 | NIST | |
| Inp | 736.00 | NIST | |
| Inp | 732.00 | NIST | |
| Inp | 732.00 | NIST | |
| Inp | 740.50 | NIST | |
| Inp | 743.30 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | 745.20 | NIST | |
| Inp | 739.00 | NIST | |
| Inp | 748.00 | NIST | |
| Inp | 738.00 | NIST | |
| Tboil | [382.15; 385.90] | K |
|
| Tboil | 382.55 ± 1.00 | K | NIST |
| Tboil | 382.40 ± 0.30 | K | NIST |
| Tboil | 382.56 ± 0.30 | K | NIST |
| Tboil | 382.44 ± 0.20 | K | NIST |
| Tboil | 382.15 ± 0.30 | K | NIST |
| Tboil | 385.90 ± 1.50 | K | NIST |
| Tboil | 385.90 ± 4.00 | K | NIST |
| Tc | 570.93 | K | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Tfus | [140.85; 142.37] | K |
|
| Tfus | 140.85 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 142.17 ± 0.30 | K | NIST |
| Tfus | 142.37 ± 0.07 | K | NIST |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [146.50; 428.67] | 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 | -5.29900e+01 | |||
| Coefficient B | 8.42560e-01 | |||
| Coefficient C | -4.28000e-04 | |||
| Coefficient D | 6.71000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 146.50 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 194.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 237.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 276.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 311.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 342.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 368.88 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 392.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 411.98 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 428.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022388; 0.0002529] | Pa×s | [141.80; 399.65] |
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 | -9.48157e+00 | |||
| Coefficient B | 4.79240e+02 | |||
| 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. | 141.80 | |||
| Temperature range, max. | 399.65 | |||
| η | 0.0022388 | Pa×s | 141.80 | Calculated Property |
| η | 0.0012685 | Pa×s | 170.45 | Calculated Property |
| η | 0.0008464 | Pa×s | 199.10 | Calculated Property |
| η | 0.0006253 | Pa×s | 227.75 | Calculated Property |
| η | 0.0004943 | Pa×s | 256.40 | Calculated Property |
| η | 0.0004096 | Pa×s | 285.05 | Calculated Property |
| η | 0.0003513 | Pa×s | 313.70 | Calculated Property |
| η | 0.0003091 | Pa×s | 342.35 | Calculated Property |
| η | 0.0002775 | Pa×s | 371.00 | Calculated Property |
| η | 0.0002529 | Pa×s | 399.65 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentane, 1,2,4-trimethyl-, (1«alpha»,2«beta»,4«alpha»)-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Passut and Danner (1973), critical constants and acentric factors ChEDL chemicals 1.5.2, from Passut, C. A.; Danner, R. P. Acentric Factor. A Valuable Correlating Parameter for the Properties of Hydrocarbons. Ind. Eng. Chem. Process Des. Dev. 1973, 12, 365-368.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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