- InChI
- InChI=1S/C9H18/c1-3-9-7-5-4-6-8(9)2/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1
- InChI Key
- XARGIVYWQPXRTC-IUCAKERBSA-N
- Formula
- C9H18
- SMILES
- CCC1CCCCC1C
- Molecular Weight1
- 126.24
- CAS
- 4923-78-8
- Other Names
-
- 1-Ethyl-2-methylcyclohexane, (E)-
- 1-METHYL-CIS-2-ETHYLCYCLOHEXANE
- 1-Methyl-trans-2-ethylcyclohexane
- CIS-1-ETHYL-2-METHYL-CYCLOHEXANE
- CIS-1-METHYL-2-ETHYLCYCLOHEXANE
- Methyl-trans-2-ethylcyclohexane
- trans-1-Ethyl-2-methyl-cyclohexane
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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 |
|---|---|---|---|
| ΔcH°liquid | -5873.79 ± 0.84 | kJ/mol | NIST |
| ΔfG° | 41.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -195.11 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -240.30 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 11.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.75 | kJ/mol | Joback Calculated Property |
| IE | 9.32 | eV | NIST |
| log10WS | -3.00 | Crippen 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 | [901.00; 930.00] |
|
|
| Inp | 905.00 | NIST | |
| Inp | 909.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | 917.00 | NIST | |
| Inp | 923.00 | NIST | |
| Inp | 901.00 | NIST | |
| Inp | Outlier 930.00 | NIST | |
| Inp | 904.10 | NIST | |
| Inp | 901.00 | NIST | |
| Inp | 901.00 | NIST | |
| Inp | 901.00 | NIST | |
| Tboil | [419.15; 426.15] | K |
|
| Tboil | 425.15 ± 0.40 | K | NIST |
| Tboil | 424.75 ± 0.50 | K | NIST |
| Tboil | 424.85 ± 0.50 | K | NIST |
| Tboil | 426.15 ± 2.00 | K | NIST |
| Tboil | 424.00 ± 4.00 | K | NIST |
| Tboil | 424.95 ± 1.00 | K | NIST |
| Tboil | Outlier 419.15 ± 3.00 | K | NIST |
| Tboil | 424.15 ± 1.50 | K | NIST |
| Tc | 618.70 | K | Joback Calculated Property |
| Tfus | 194.33 | K | Joback Calculated Property |
| Vc | 0.471 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [255.07; 355.76] | J/mol×K | [420.20; 618.70] |
|
| Cp,gas | 255.07 | J/mol×K | 420.20 | Joback Calculated Property |
| Cp,gas | 273.91 | J/mol×K | 453.28 | Joback Calculated Property |
| Cp,gas | 291.90 | J/mol×K | 486.37 | Joback Calculated Property |
| Cp,gas | 309.07 | J/mol×K | 519.45 | Joback Calculated Property |
| Cp,gas | 325.42 | J/mol×K | 552.53 | Joback Calculated Property |
| Cp,gas | 340.98 | J/mol×K | 585.62 | Joback Calculated Property |
| Cp,gas | 355.76 | J/mol×K | 618.70 | Joback Calculated Property |
| η | [0.0002668; 0.0046654] | Pa×s | [194.33; 420.20] |
|
| η | 0.0046654 | Pa×s | 194.33 | Joback Calculated Property |
| η | 0.0019666 | Pa×s | 231.97 | Joback Calculated Property |
| η | 0.0010552 | Pa×s | 269.62 | Joback Calculated Property |
| η | 0.0006594 | Pa×s | 307.26 | Joback Calculated Property |
| η | 0.0004567 | Pa×s | 344.91 | Joback Calculated Property |
| η | 0.0003400 | Pa×s | 382.56 | Joback Calculated Property |
| η | 0.0002668 | Pa×s | 420.20 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [310.26; 452.91] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.38527e+01 | |||
| Coefficient B | -3.28992e+03 | |||
| Coefficient C | -6.77310e+01 | |||
| Temperature range, min. | 310.26 | |||
| Temperature range, max. | 452.91 | |||
| Pvap | 1.33 | kPa | 310.26 | Calculated Property |
| Pvap | 3.06 | kPa | 326.11 | Calculated Property |
| Pvap | 6.40 | kPa | 341.96 | Calculated Property |
| Pvap | 12.32 | kPa | 357.81 | Calculated Property |
| Pvap | 22.17 | kPa | 373.66 | Calculated Property |
| Pvap | 37.66 | kPa | 389.51 | Calculated Property |
| Pvap | 60.86 | kPa | 405.36 | Calculated Property |
| Pvap | 94.20 | kPa | 421.21 | Calculated Property |
| Pvap | 140.45 | kPa | 437.06 | Calculated Property |
| Pvap | 202.64 | kPa | 452.91 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, 1-ethyl-2-methyl-, trans-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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