- InChI
- InChI=1S/C9H20/c1-5-8(4)9(6-2)7-3/h8-9H,5-7H2,1-4H3
- InChI Key
- OKCRKWVABWILDR-UHFFFAOYSA-N
- Formula
- C9H20
- SMILES
- CCC(C)C(CC)CC
- Molecular Weight1
- 128.26
- CAS
- 3074-77-9
- Other Names
-
- 3-ETHYL-4-METHYLHEXANE
- 3-METHYL-4-ETHYLHEXANE
- 4-ETHYL-3-METHYLHEXANE
- Hexane, 4-ethyl-3-methyl
- 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 | 0.3720 | KDB | |
| ΔfG° | 20.02 | kJ/mol | Joback Calculated Property |
| Δc,grossH | 6124.08 | kJ/mol | KDB |
| Δc,netH | 5683.964 | kJ/mol | KDB |
| ΔfH°gas | -239.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.85 | kJ/mol | Joback Calculated Property |
| log10WS | -3.11 | Crippen Calculated Property | |
| logPoct/wat | 3.469 | Crippen Calculated Property | |
| McVol | 137.670 | ml/mol | McGowan Calculated Property |
| Pc | 2510.00 | kPa | KDB |
| Inp | [851.00; 860.00] |
|
|
| Inp | 856.00 | NIST | |
| Inp | Outlier 851.00 | NIST | |
| Inp | 853.60 | NIST | |
| Inp | 857.10 | NIST | |
| Inp | 855.60 | NIST | |
| Inp | 856.00 | NIST | |
| Inp | 856.30 | NIST | |
| Inp | 856.00 | NIST | |
| Inp | 856.00 | NIST | |
| Inp | Outlier 860.00 | NIST | |
| Inp | 856.00 | NIST | |
| Inp | 856.00 | NIST | |
| Inp | 856.00 | NIST | |
| Inp | 856.00 | NIST | |
| Tboil | [413.55; 413.60] | K |
|
| Tboil | 413.60 | K | KDB |
| Tboil | 413.55 ± 0.50 | K | NIST |
| Tc | 593.70 | K | KDB |
| Tfus | 160.00 | K | KDB |
| Vc | 0.490 | m3/kmol | KDB |
| Zc | 0.2491530 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.52; 353.86] | J/mol×K | [404.44; 574.89] |
|
| Cp,gas | 272.52 | J/mol×K | 404.44 | Joback Calculated Property |
| Cp,gas | 287.44 | J/mol×K | 432.85 | Joback Calculated Property |
| Cp,gas | 301.80 | J/mol×K | 461.26 | Joback Calculated Property |
| Cp,gas | 315.61 | J/mol×K | 489.67 | Joback Calculated Property |
| Cp,gas | 328.88 | J/mol×K | 518.07 | Joback Calculated Property |
| Cp,gas | 341.62 | J/mol×K | 546.48 | Joback Calculated Property |
| Cp,gas | 353.86 | J/mol×K | 574.89 | Joback Calculated Property |
| η | [0.0002255; 0.0224972] | Pa×s | [161.19; 404.44] |
|
| η | 0.0224972 | Pa×s | 161.19 | Joback Calculated Property |
| η | 0.0048330 | Pa×s | 201.73 | Joback Calculated Property |
| η | 0.0017372 | Pa×s | 242.27 | Joback Calculated Property |
| η | 0.0008373 | Pa×s | 282.81 | Joback Calculated Property |
| η | 0.0004846 | Pa×s | 323.36 | Joback Calculated Property |
| η | 0.0003168 | Pa×s | 363.90 | Joback Calculated Property |
| η | 0.0002255 | Pa×s | 404.44 | Joback Calculated Property |
| ΔvapH | 36.40 | kJ/mol | 413.60 | KDB |
| n0 | 1.41280 | 298.15 | KDB | |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [302.70; 441.30] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42302e+01 | |||
| Coefficient B | -3.43058e+03 | |||
| Coefficient C | -5.66490e+01 | |||
| Temperature range, min. | 302.70 | |||
| Temperature range, max. | 441.30 | |||
| Pvap | 1.33 | kPa | 302.70 | Calculated Property |
| Pvap | 3.03 | kPa | 318.10 | Calculated Property |
| Pvap | 6.29 | kPa | 333.50 | Calculated Property |
| Pvap | 12.08 | kPa | 348.90 | Calculated Property |
| Pvap | 21.74 | kPa | 364.30 | Calculated Property |
| Pvap | 37.00 | kPa | 379.70 | Calculated Property |
| Pvap | 59.98 | kPa | 395.10 | Calculated Property |
| Pvap | 93.24 | kPa | 410.50 | Calculated Property |
| Pvap | 139.71 | kPa | 425.90 | Calculated Property |
| Pvap | 202.66 | kPa | 441.30 | Calculated Property |
| Pvap | [1.37; 2544.50] | kPa | [302.15; 593.70] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 8.92974e+01 | |||
| Coefficient B | -8.08141e+03 | |||
| Coefficient C | -1.10102e+01 | |||
| Coefficient D | 7.01203e-06 | |||
| Temperature range, min. | 302.15 | |||
| Temperature range, max. | 593.70 | |||
| Pvap | 1.37 | kPa | 302.15 | Calculated Property |
| Pvap | 6.86 | kPa | 334.54 | Calculated Property |
| Pvap | 24.54 | kPa | 366.94 | Calculated Property |
| Pvap | 68.67 | kPa | 399.33 | Calculated Property |
| Pvap | 160.43 | kPa | 431.73 | Calculated Property |
| Pvap | 327.42 | kPa | 464.12 | Calculated Property |
| Pvap | 603.44 | kPa | 496.52 | Calculated Property |
| Pvap | 1029.23 | kPa | 528.91 | Calculated Property |
| Pvap | 1654.93 | kPa | 561.31 | Calculated Property |
| Pvap | 2544.50 | kPa | 593.70 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 3-ethyl-4-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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