- InChI
- InChI=1S/C9H18/c1-4-9-6-5-7(2)8(9)3/h7-9H,4-6H2,1-3H3/t7-,8+,9-/m0/s1
- InChI Key
- UMUGNPFWQJAOJI-YIZRAAEISA-N
- Formula
- C9H18
- SMILES
- CCC1CCC(C)C1C
- Molecular Weight1
- 126.24
- 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).
- 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 | -162.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.079 | Crippen Calculated Property | |
| McVol | 126.810 | ml/mol | McGowan Calculated Property |
| Inp | [874.00; 884.00] |
|
|
| Inp | 874.00 | NIST | |
| Inp | 877.00 | NIST | |
| Inp | 878.00 | NIST | |
| Inp | 881.00 | NIST | |
| Inp | 884.00 | NIST | |
| Tboil | 416.28 | K | Relay (1.0) Calculated Property |
| Tfus | 167.00 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, 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 | [167.71; 480.26] | 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 | -5.38990e+01 | |||
| Coefficient B | 9.37560e-01 | |||
| Coefficient C | -4.82400e-04 | |||
| Coefficient D | 7.90000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 167.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 220.91 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 268.91 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 311.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 350.31 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 384.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 413.89 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 439.64 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 461.67 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 480.26 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013588; 0.0002743] | Pa×s | [193.61; 421.21] |
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 | -9.56279e+00 | |||
| Coefficient B | 5.73400e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 193.61 | |||
| Temperature range, max. | 421.21 | |||
| η | 0.0013588 | Pa×s | 193.61 | Calculated Property |
| η | 0.0009651 | Pa×s | 218.90 | Calculated Property |
| η | 0.0007358 | Pa×s | 244.19 | Calculated Property |
| η | 0.0005903 | Pa×s | 269.48 | Calculated Property |
| η | 0.0004918 | Pa×s | 294.76 | Calculated Property |
| η | 0.0004217 | Pa×s | 320.05 | Calculated Property |
| η | 0.0003699 | Pa×s | 345.34 | Calculated Property |
| η | 0.0003302 | Pa×s | 370.63 | Calculated Property |
| η | 0.0002992 | Pa×s | 395.92 | Calculated Property |
| η | 0.0002743 | Pa×s | 421.21 | Calculated Property |
Similar Compounds
Find more compounds similar to cis,trans,trans-3-Ethyl-1,2-dimethylcyclopentane.
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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