- InChI
- InChI=1S/C9H20/c1-5-8-9(4,6-2)7-3/h5-8H2,1-4H3
- InChI Key
- CYWROHZCELEGSE-UHFFFAOYSA-N
- Formula
- C9H20
- SMILES
- CCCC(C)(CC)CC
- Molecular Weight1
- 128.26
- CAS
- 3074-76-8
- Other Names
-
- 3-Ethyl-3-methylhexane
- 3-METHYL-3-ETHYLHEXANE
- 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).
- Δc,grossH : Heat of Combustion, Gross form (kJ/mol).
- Δc,netH : Heat of Combustion, Net Form (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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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).
- n0 : Refractive Index.
- 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).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3520 | KDB | |
| ΔfG° | 27.74 | kJ/mol | Joback Calculated Property |
| Δc,grossH | 6122.03 | kJ/mol | KDB |
| Δc,netH | 5681.914 | kJ/mol | KDB |
| ΔfH°gas | -237.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.90 | kJ/mol | NIST |
| log10WS | -3.35 | Crippen Calculated Property | |
| logPoct/wat | 3.613 | Crippen Calculated Property | |
| McVol | 137.670 | ml/mol | McGowan Calculated Property |
| Pc | 2550.00 | kPa | KDB |
| Inp | [849.00; 857.00] |
|
|
| Inp | 856.00 | NIST | |
| Inp | Outlier 849.00 | NIST | |
| Inp | 854.80 | NIST | |
| Inp | 856.50 | NIST | |
| Inp | 856.00 | NIST | |
| Inp | 855.50 | NIST | |
| Inp | 851.00 | NIST | |
| Inp | 852.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 854.00 | NIST | |
| Inp | 856.00 | NIST | |
| Inp | 856.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 854.00 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 855.00 | NIST | |
| Inp | 856.00 | NIST | |
| Inp | 856.00 | NIST | |
| Inp | 855.50 | NIST | |
| Tboil | [413.75; 413.80] | K |
|
| Tboil | 413.80 | K | KDB |
| Tboil | 413.75 ± 0.50 | K | NIST |
| Tc | 597.50 | K | KDB |
| Tfus | 160.00 | K | KDB |
| Vc | 0.487 | m3/kmol | KDB |
| Zc | 0.2499740 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.99; 357.75] | J/mol×K | [402.09; 575.56] |
|
| Cp,gas | 273.99 | J/mol×K | 402.09 | Joback Calculated Property |
| Cp,gas | 289.63 | J/mol×K | 431.00 | Joback Calculated Property |
| Cp,gas | 304.56 | J/mol×K | 459.91 | Joback Calculated Property |
| Cp,gas | 318.82 | J/mol×K | 488.82 | Joback Calculated Property |
| Cp,gas | 332.42 | J/mol×K | 517.74 | Joback Calculated Property |
| Cp,gas | 345.39 | J/mol×K | 546.65 | Joback Calculated Property |
| Cp,gas | 357.75 | J/mol×K | 575.56 | Joback Calculated Property |
| η | [0.0002652; 0.0112198] | Pa×s | [193.61; 402.09] |
|
| η | 0.0112198 | Pa×s | 193.61 | Joback Calculated Property |
| η | 0.0037384 | Pa×s | 228.36 | Joback Calculated Property |
| η | 0.0016651 | Pa×s | 263.10 | Joback Calculated Property |
| η | 0.0008957 | Pa×s | 297.85 | Joback Calculated Property |
| η | 0.0005485 | Pa×s | 332.60 | Joback Calculated Property |
| η | 0.0003685 | Pa×s | 367.34 | Joback Calculated Property |
| η | 0.0002652 | Pa×s | 402.09 | Joback Calculated Property |
| ΔvapH | 35.73 | kJ/mol | 413.80 | KDB |
| n0 | 1.41200 | 298.15 | KDB | |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [301.09; 441.98] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42025e+01 | |||
| Coefficient B | -3.46967e+03 | |||
| Coefficient C | -5.17400e+01 | |||
| Temperature range, min. | 301.09 | |||
| Temperature range, max. | 441.98 | |||
| Pvap | 1.33 | kPa | 301.09 | Calculated Property |
| Pvap | 3.03 | kPa | 316.74 | Calculated Property |
| Pvap | 6.30 | kPa | 332.40 | Calculated Property |
| Pvap | 12.10 | kPa | 348.05 | Calculated Property |
| Pvap | 21.77 | kPa | 363.71 | Calculated Property |
| Pvap | 37.04 | kPa | 379.36 | Calculated Property |
| Pvap | 60.04 | kPa | 395.02 | Calculated Property |
| Pvap | 93.30 | kPa | 410.67 | Calculated Property |
| Pvap | 139.75 | kPa | 426.33 | Calculated Property |
| Pvap | 202.63 | kPa | 441.98 | Calculated Property |
| Pvap | [1.34; 2555.89] | kPa | [301.15; 597.50] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 8.94498e+01 | |||
| Coefficient B | -8.04520e+03 | |||
| Coefficient C | -1.10523e+01 | |||
| Coefficient D | 7.04742e-06 | |||
| Temperature range, min. | 301.15 | |||
| Temperature range, max. | 597.50 | |||
| Pvap | 1.34 | kPa | 301.15 | Calculated Property |
| Pvap | 6.86 | kPa | 334.08 | Calculated Property |
| Pvap | 24.77 | kPa | 367.01 | Calculated Property |
| Pvap | 69.61 | kPa | 399.93 | Calculated Property |
| Pvap | 162.70 | kPa | 432.86 | Calculated Property |
| Pvap | 331.63 | kPa | 465.79 | Calculated Property |
| Pvap | 609.91 | kPa | 498.72 | Calculated Property |
| Pvap | 1037.84 | kPa | 531.64 | Calculated Property |
| Pvap | 1665.19 | kPa | 564.57 | Calculated Property |
| Pvap | 2555.89 | kPa | 597.50 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 3-ethyl-3-methyl-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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