- InChI
- InChI=1S/C8H16/c1-3-8-6-4-5-7(8)2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
- InChI Key
- BSKOLJVTLRLTHE-HTQZYQBOSA-N
- Formula
- C8H16
- SMILES
- CCC1CCCC1C
- Molecular Weight1
- 112.21
- 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).
- 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 | 0.2625 | Relay (1.0) Calculated Property | |
| ΔfG° | 45.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -149.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.56 | 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 | [787.00; 787.00] |
|
|
| Inp | 787.00 | NIST | |
| Inp | 787.00 | NIST | |
| Tboil | 395.38 | K | Relay (1.0) Calculated Property |
| Tc | 601.07 | K | Relay (1.0) Calculated Property |
| Tfus | 145.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.404 | 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 | [0.0022106; 0.0002647] | Pa×s | [186.58; 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 | |||
| Temperature range, min. | 186.58 | |||
| Temperature range, max. | 409.85 | |||
| η | 0.0022106 | Pa×s | 186.58 | Calculated Property |
| η | 0.0013994 | Pa×s | 211.39 | Calculated Property |
| η | 0.0009752 | Pa×s | 236.20 | Calculated Property |
| η | 0.0007278 | Pa×s | 261.00 | Calculated Property |
| η | 0.0005715 | Pa×s | 285.81 | Calculated Property |
| η | 0.0004665 | Pa×s | 310.62 | Calculated Property |
| η | 0.0003923 | Pa×s | 335.43 | Calculated Property |
| η | 0.0003379 | Pa×s | 360.24 | Calculated Property |
| η | 0.0002967 | Pa×s | 385.04 | Calculated Property |
| η | 0.0002647 | Pa×s | 409.85 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-trans-2-Ethylmethylcyclopentane.
Sources
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