- InChI
- InChI=1S/C9H18/c1-3-9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3
- InChI Key
- CYISMTMRBPPERU-UHFFFAOYSA-N
- Formula
- C9H18
- SMILES
- CCC1CCC(C)CC1
- Molecular Weight1
- 126.24
- CAS
- 3728-56-1
- 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 | 0.2734 | Relay (1.0) Calculated Property | |
| ΔfG° | 41.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -185.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.223 | Crippen Calculated Property | |
| McVol | 126.810 | ml/mol | McGowan Calculated Property |
| Pc | 2741.15 | kPa | Joback Calculated Property |
| Inp | [883.00; 888.00] |
|
|
| Inp | 888.00 | NIST | |
| Inp | 883.00 | NIST | |
| Inp | 888.00 | NIST | |
| Inp | 883.00 | NIST | |
| Tboil | [420.00; 423.70] | K |
|
| Tboil | 423.70 ± 2.00 | K | NIST |
| Tboil | 420.00 ± 3.00 | K | NIST |
| Tboil | 423.00 ± 4.00 | K | NIST |
| Tc | 613.46 | K | Relay (1.0) Calculated Property |
| Tfus | 192.35 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.459 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [160.55; 475.38] | 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 | -6.49590e+01 | |||
| Coefficient B | 9.54440e-01 | |||
| Coefficient C | -4.91400e-04 | |||
| Coefficient D | 7.73000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 160.55 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 214.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 263.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 306.97 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 345.75 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 379.92 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 409.72 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 435.40 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 457.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 475.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0049282; 0.0002477] | Pa×s | [192.35; 433.30] |
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 | -1.06908e+01 | |||
| Coefficient B | 1.03446e+03 | |||
| 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. | 192.35 | |||
| Temperature range, max. | 433.30 | |||
| η | 0.0049282 | Pa×s | 192.35 | Calculated Property |
| η | 0.0025546 | Pa×s | 219.12 | Calculated Property |
| η | 0.0015279 | Pa×s | 245.89 | Calculated Property |
| η | 0.0010109 | Pa×s | 272.67 | Calculated Property |
| η | 0.0007201 | Pa×s | 299.44 | Calculated Property |
| η | 0.0005423 | Pa×s | 326.21 | Calculated Property |
| η | 0.0004264 | Pa×s | 352.98 | Calculated Property |
| η | 0.0003468 | Pa×s | 379.75 | Calculated Property |
| η | 0.0002898 | Pa×s | 406.52 | Calculated Property |
| η | 0.0002477 | Pa×s | 433.30 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Ethyl-4-methylcyclohexane.
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
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