- 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).
- 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 | 0.3433 | Relay (1.0) Calculated Property | |
| ΔfG° | 27.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -233.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.90 | kJ/mol | NIST |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.613 | Crippen Calculated Property | |
| McVol | 137.670 | ml/mol | McGowan Calculated Property |
| Pc | 2349.64 | kPa | Joback Calculated Property |
| 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 ± 0.50 | K | NIST |
| Tc | 593.82 | K | Relay (1.0) Calculated Property |
| Tfus | 166.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.486 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [274.10; 357.87] | J/mol×K | [402.29; 575.85] |
|
| Cp,gas | 274.10 | J/mol×K | 402.29 | Joback Calculated Property |
| Cp,gas | 289.74 | J/mol×K | 431.22 | Joback Calculated Property |
| Cp,gas | 304.68 | J/mol×K | 460.14 | Joback Calculated Property |
| Cp,gas | 318.93 | J/mol×K | 489.07 | Joback Calculated Property |
| Cp,gas | 332.53 | J/mol×K | 517.99 | Joback Calculated Property |
| Cp,gas | 345.51 | J/mol×K | 546.92 | Joback Calculated Property |
| Cp,gas | 357.87 | J/mol×K | 575.85 | Joback Calculated Property |
| η | [0.0002647; 0.0112198] | Pa×s | [193.61; 402.29] |
|
| η | 0.0112198 | Pa×s | 193.61 | Joback Calculated Property |
| η | 0.0037350 | Pa×s | 228.39 | Joback Calculated Property |
| η | 0.0016629 | Pa×s | 263.17 | Joback Calculated Property |
| η | 0.0008943 | Pa×s | 297.95 | Joback Calculated Property |
| η | 0.0005475 | Pa×s | 332.73 | Joback Calculated Property |
| η | 0.0003679 | Pa×s | 367.51 | Joback Calculated Property |
| η | 0.0002647 | Pa×s | 402.29 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [301.09; 441.98] |
The Yaws Handbook of Vapor Pressure
|
| 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 Vapor Pressure Data
|
| 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
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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