- InChI
- InChI=1S/C8H16/c1-6-4-7(2)8(3)5-6/h6-8H,4-5H2,1-3H3/t7-,8-/m0/s1
- InChI Key
- PNUFYSGVPVMNRN-YUMQZZPRSA-N
- Formula
- C8H16
- SMILES
- CC1CC(C)C(C)C1
- Molecular Weight1
- 112.21
- CAS
- 2815-58-9
- Other Names
-
- 1,2,4-Trimethylcyclopentane
- 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).
- 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 |
|---|---|---|---|
| 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 |
| Inp | [740.00; 797.00] |
|
|
| Inp | 742.30 | NIST | |
| Inp | 742.40 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 777.10 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | 740.00 | NIST | |
| Inp | 766.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 743.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 740.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 759.00 | NIST | |
| Inp | Outlier 797.00 | NIST | |
| Inp | 742.30 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 777.10 | NIST | |
| Inp | 759.00 | NIST | |
| Tboil | 386.98 | K | Relay (1.0) Calculated Property |
| Tc | 574.13 | K | Relay (1.0) Calculated Property |
| Tfus | 167.31 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [0.0010560; 0.0002481] | Pa×s | [182.34; 406.19] |
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. | 182.34 | |||
| Temperature range, max. | 406.19 | |||
| η | 0.0010560 | Pa×s | 182.34 | Calculated Property |
| η | 0.0007703 | Pa×s | 207.21 | Calculated Property |
| η | 0.0006012 | Pa×s | 232.08 | Calculated Property |
| η | 0.0004923 | Pa×s | 256.96 | Calculated Property |
| η | 0.0004176 | Pa×s | 281.83 | Calculated Property |
| η | 0.0003638 | Pa×s | 306.70 | Calculated Property |
| η | 0.0003235 | Pa×s | 331.57 | Calculated Property |
| η | 0.0002925 | Pa×s | 356.44 | Calculated Property |
| η | 0.0002679 | Pa×s | 381.31 | Calculated Property |
| η | 0.0002481 | Pa×s | 406.19 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentane, 1,2,4-trimethyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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