- InChI
- InChI=1S/C8H16/c1-3-8-5-4-7(2)6-8/h7-8H,3-6H2,1-2H3
- InChI Key
- PQXAPVOKLYINEI-UHFFFAOYSA-N
- Formula
- C8H16
- SMILES
- CCC1CCC(C)C1
- Molecular Weight1
- 112.21
- CAS
- 3726-47-4
- Other Names
-
- 1-Ethyl-3-methylcyclopentane
- 1-Methyl-3-ethylcyclopentane
- 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.
- 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 | 0.2731 | Relay (1.0) Calculated Property | |
| ΔfG° | 45.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -148.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.833 | Crippen Calculated Property | |
| McVol | 112.720 | ml/mol | McGowan Calculated Property |
| Pc | 2956.90 | kPa | Joback Calculated Property |
| Inp | [785.00; 808.00] |
|
|
| Inp | 785.00 | NIST | |
| Inp | 793.90 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 787.00 | NIST | |
| Inp | 790.00 | NIST | |
| Inp | 792.00 | NIST | |
| Inp | 787.00 | NIST | |
| Inp | 788.00 | NIST | |
| Inp | Outlier 808.00 | NIST | |
| Inp | 787.00 | NIST | |
| Inp | 793.90 | NIST | |
| Tboil | [394.18; 394.24] | K |
|
| Tboil | 394.18 ± 0.20 | K | NIST |
| Tboil | 394.24 ± 0.70 | K | NIST |
| Tc | 589.80 | K | Relay (1.0) Calculated Property |
| Tfus | [140.35; 165.15] | K |
|
| Tfus | 165.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 145.13 ± 0.15 | K | NIST |
| Tfus | 140.40 ± 1.00 | K | NIST |
| Tfus | 140.35 ± 2.00 | K | NIST |
| Tfus | 140.50 ± 0.50 | K | NIST |
| Vc | 0.415 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [144.23; 422.01] | 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 | -5.89290e+01 | |||
| Coefficient B | 8.69040e-01 | |||
| Coefficient C | -4.83400e-04 | |||
| Coefficient D | 9.53000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 144.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 192.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 235.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 273.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 307.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 337.39 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 363.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 386.06 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 405.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 422.01 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0064607; 0.0002647] | Pa×s | [146.31; 409.85] |
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 | -1.00106e+01 | |||
| Coefficient B | 7.26930e+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. | 146.31 | |||
| Temperature range, max. | 409.85 | |||
| η | 0.0064607 | Pa×s | 146.31 | Calculated Property |
| η | 0.0028211 | Pa×s | 175.59 | Calculated Property |
| η | 0.0015611 | Pa×s | 204.87 | Calculated Property |
| η | 0.0010017 | Pa×s | 234.15 | Calculated Property |
| η | 0.0007093 | Pa×s | 263.44 | Calculated Property |
| η | 0.0005382 | Pa×s | 292.72 | Calculated Property |
| η | 0.0004294 | Pa×s | 322.00 | Calculated Property |
| η | 0.0003558 | Pa×s | 351.29 | Calculated Property |
| η | 0.0003034 | Pa×s | 380.57 | Calculated Property |
| η | 0.0002647 | Pa×s | 409.85 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [281.86; 423.17] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.35282e+01 | |||
| Coefficient B | -3.06019e+03 | |||
| Coefficient C | -5.07380e+01 | |||
| Temperature range, min. | 281.86 | |||
| Temperature range, max. | 423.17 | |||
| Pvap | 1.33 | kPa | 281.86 | Calculated Property |
| Pvap | 3.10 | kPa | 297.56 | Calculated Property |
| Pvap | 6.50 | kPa | 313.26 | Calculated Property |
| Pvap | 12.54 | kPa | 328.96 | Calculated Property |
| Pvap | 22.57 | kPa | 344.66 | Calculated Property |
| Pvap | 38.27 | kPa | 360.37 | Calculated Property |
| Pvap | 61.66 | kPa | 376.07 | Calculated Property |
| Pvap | 95.09 | kPa | 391.77 | Calculated Property |
| Pvap | 141.14 | kPa | 407.47 | Calculated Property |
| Pvap | 202.63 | kPa | 423.17 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentane, 1-ethyl-3-methyl-.
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).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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