- InChI
- InChI=1S/C9H18/c1-3-9-7-5-4-6-8(9)2/h8-9H,3-7H2,1-2H3
- InChI Key
- XARGIVYWQPXRTC-UHFFFAOYSA-N
- Formula
- C9H18
- SMILES
- CCC1CCCCC1C
- Molecular Weight1
- 126.24
- CAS
- 3728-54-9
- 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 | 0.2640 | Relay (1.0) Calculated Property | |
| ΔfG° | 41.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -181.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.89 | 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 | [919.00; 919.00] |
|
|
| Inp | 919.00 | NIST | |
| Inp | 919.00 | NIST | |
| Tboil | [424.20; 426.80] | K |
|
| Tboil | 424.20 | K | NIST |
| Tboil | 426.80 ± 3.00 | K | NIST |
| Tc | 630.12 | K | Relay (1.0) Calculated Property |
| Tfus | 166.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.449 | 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 | [0.0046654; 0.0002477] | Pa×s | [194.33; 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 | |||
| Temperature range, min. | 194.33 | |||
| Temperature range, max. | 433.30 | |||
| η | 0.0046654 | Pa×s | 194.33 | Calculated Property |
| η | 0.0024603 | Pa×s | 220.88 | Calculated Property |
| η | 0.0014884 | Pa×s | 247.43 | Calculated Property |
| η | 0.0009926 | Pa×s | 273.99 | Calculated Property |
| η | 0.0007111 | Pa×s | 300.54 | Calculated Property |
| η | 0.0005377 | Pa×s | 327.09 | Calculated Property |
| η | 0.0004241 | Pa×s | 353.64 | Calculated Property |
| η | 0.0003457 | Pa×s | 380.19 | Calculated Property |
| η | 0.0002895 | Pa×s | 406.74 | Calculated Property |
| η | 0.0002477 | Pa×s | 433.30 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [312.90; 452.04] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.44629e+01 | |||
| Coefficient B | -3.59289e+03 | |||
| Coefficient C | -5.94390e+01 | |||
| Temperature range, min. | 312.90 | |||
| Temperature range, max. | 452.04 | |||
| Pvap | 1.33 | kPa | 312.90 | Calculated Property |
| Pvap | 3.01 | kPa | 328.36 | Calculated Property |
| Pvap | 6.23 | kPa | 343.82 | Calculated Property |
| Pvap | 11.94 | kPa | 359.28 | Calculated Property |
| Pvap | 21.49 | kPa | 374.74 | Calculated Property |
| Pvap | 36.61 | kPa | 390.20 | Calculated Property |
| Pvap | 59.47 | kPa | 405.66 | Calculated Property |
| Pvap | 92.67 | kPa | 421.12 | Calculated Property |
| Pvap | 139.25 | kPa | 436.58 | Calculated Property |
| Pvap | 202.64 | kPa | 452.04 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Ethyl-2-methylcyclohexane.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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