- InChI
- InChI=1S/C10H22/c1-7-9(3,4)10(5,6)8-2/h7-8H2,1-6H3
- InChI Key
- MCEYLFHKATVXLN-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CCC(C)(C)C(C)(C)CC
- Molecular Weight1
- 142.28
- CAS
- 5171-84-6
- Other Names
-
- 3,3,4,4-Tetramethylhexane
- ω : Acentric Factor.
- AP : Aniline Point (K).
- 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).
- 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).
- 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 | 0.3110 | KDB | |
| AP | 337.150 | K | KDB |
| ΔfG° | 39.00 | kJ/mol | Joback Calculated Property |
| Δc,grossH | 6782.01 | kJ/mol | KDB |
| Δc,netH | 6297.882 | kJ/mol | KDB |
| ΔfH°gas | -261.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.30 | kJ/mol | NIST |
| IE | 9.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.859 | Crippen Calculated Property | |
| McVol | 151.760 | ml/mol | McGowan Calculated Property |
| Pc | 2570.00 | kPa | KDB |
| Inp | [971.00; 998.00] |
|
|
| Inp | 984.00 | NIST | |
| Inp | 983.70 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 971.00 | NIST | |
| Inp | Outlier 998.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 971.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 971.00 | NIST | |
| Inp | 971.00 | NIST | |
| Tboil | [443.15; 444.05] | K |
|
| Tboil | 443.20 | K | KDB |
| Tboil | 443.20 ± 2.00 | K | NIST |
| Tboil | 444.05 ± 1.00 | K | NIST |
| Tboil | 443.15 ± 0.30 | K | NIST |
| Tc | 646.70 | K | KDB |
| Tfus | 261.00 | K | KDB |
| Vc | 0.506 | m3/kmol | KDB |
| Zc | 0.2418490 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 35.02 | kJ/mol | 443.20 | KDB |
| n0 | 1.43460 | 298.15 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [214.70; 538.17] | 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 | -5.51480e+01 | |||
| Coefficient B | 1.20552e+00 | |||
| Coefficient C | -8.63800e-04 | |||
| Coefficient D | 2.51600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 214.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 274.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 326.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 371.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 409.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 443.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 471.79 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 496.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 518.53 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 538.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0033398; 0.0002007] | Pa×s | [261.00; 452.69] |
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 | -1.23422e+01 | |||
| Coefficient B | 1.73312e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 261.00 | |||
| Temperature range, max. | 452.69 | |||
| η | 0.0033398 | Pa×s | 261.00 | Calculated Property |
| η | 0.0020237 | Pa×s | 282.30 | Calculated Property |
| η | 0.0013155 | Pa×s | 303.60 | Calculated Property |
| η | 0.0009048 | Pa×s | 324.90 | Calculated Property |
| η | 0.0006517 | Pa×s | 346.20 | Calculated Property |
| η | 0.0004876 | Pa×s | 367.49 | Calculated Property |
| η | 0.0003765 | Pa×s | 388.79 | Calculated Property |
| η | 0.0002987 | Pa×s | 410.09 | Calculated Property |
| η | 0.0002425 | Pa×s | 431.39 | Calculated Property |
| η | 0.0002007 | Pa×s | 452.69 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [320.31; 474.11] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.40647e+01 | |||
| Coefficient B | -3.69196e+03 | |||
| Coefficient C | -5.23280e+01 | |||
| Temperature range, min. | 320.31 | |||
| Temperature range, max. | 474.11 | |||
| Pvap | 1.33 | kPa | 320.31 | Calculated Property |
| Pvap | 3.05 | kPa | 337.40 | Calculated Property |
| Pvap | 6.34 | kPa | 354.49 | Calculated Property |
| Pvap | 12.19 | kPa | 371.58 | Calculated Property |
| Pvap | 21.93 | kPa | 388.67 | Calculated Property |
| Pvap | 37.28 | kPa | 405.75 | Calculated Property |
| Pvap | 60.36 | kPa | 422.84 | Calculated Property |
| Pvap | 93.66 | kPa | 439.93 | Calculated Property |
| Pvap | 140.03 | kPa | 457.02 | Calculated Property |
| Pvap | 202.65 | kPa | 474.11 | Calculated Property |
| Pvap | [1.33; 2590.15] | kPa | [320.15; 646.70] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 8.29300e+01 | |||
| Coefficient B | -8.14802e+03 | |||
| Coefficient C | -1.00138e+01 | |||
| Coefficient D | 5.58767e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 320.15 | |||
| Temperature range, max. | 646.70 | |||
| Pvap | 1.33 | kPa | 320.15 | Calculated Property |
| Pvap | 6.94 | kPa | 356.43 | Calculated Property |
| Pvap | 25.30 | kPa | 392.72 | Calculated Property |
| Pvap | 71.32 | kPa | 429.00 | Calculated Property |
| Pvap | 166.76 | kPa | 465.28 | Calculated Property |
| Pvap | 339.50 | kPa | 501.57 | Calculated Property |
| Pvap | 623.10 | kPa | 537.85 | Calculated Property |
| Pvap | 1057.67 | kPa | 574.13 | Calculated Property |
| Pvap | 1692.39 | kPa | 610.42 | Calculated Property |
| Pvap | 2590.15 | kPa | 646.70 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 3,3,4,4-tetramethyl-.
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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