- InChI
- InChI=1S/C10H22/c1-7(2)9(5)10(6)8(3)4/h7-10H,1-6H3
- InChI Key
- BHGNYYIOYPFWKC-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CC(C)C(C)C(C)C(C)C
- Molecular Weight1
- 142.28
- CAS
- 52897-15-1
- Other Names
-
- 2,3,4,5-tetramethylhexane
- 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 | 0.3712 | Relay (1.0) Calculated Property | |
| ΔfG° | 23.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -252.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.00 | kJ/mol | NIST |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.571 | Crippen Calculated Property | |
| McVol | 151.760 | ml/mol | McGowan Calculated Property |
| Pc | 2171.40 | kPa | Joback Calculated Property |
| Inp | [918.00; 928.00] |
|
|
| Inp | 923.00 | NIST | |
| Inp | 923.10 | NIST | |
| Inp | 928.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 928.00 | NIST | |
| Inp | 923.00 | NIST | |
| Inp | 923.00 | NIST | |
| Tboil | [428.00; 429.15] | K |
|
| Tboil | 429.15 ± 2.00 | K | NIST |
| Tboil | 428.00 ± 2.00 | K | NIST |
| Tc | 605.82 | K | Relay (1.0) Calculated Property |
| Tfus | 200.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.539 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.36; 537.39] | 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 | -1.29300e+01 | |||
| Coefficient B | 9.77520e-01 | |||
| Coefficient C | -5.33000e-04 | |||
| Coefficient D | 1.05800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 216.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 270.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 319.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 363.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 402.79 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 437.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 467.75 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 494.33 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 517.44 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 537.39 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.1409238; 0.0002053] | Pa×s | [142.46; 422.78] |
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 | -1.18102e+01 | |||
| Coefficient B | 1.40332e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 142.46 | |||
| Temperature range, max. | 422.78 | |||
| η | 0.1409238 | Pa×s | 142.46 | Calculated Property |
| η | 0.0240684 | Pa×s | 173.61 | Calculated Property |
| η | 0.0070376 | Pa×s | 204.75 | Calculated Property |
| η | 0.0028472 | Pa×s | 235.90 | Calculated Property |
| η | 0.0014226 | Pa×s | 267.05 | Calculated Property |
| η | 0.0008217 | Pa×s | 298.20 | Calculated Property |
| η | 0.0005265 | Pa×s | 329.34 | Calculated Property |
| η | 0.0003644 | Pa×s | 360.49 | Calculated Property |
| η | 0.0002674 | Pa×s | 391.64 | Calculated Property |
| η | 0.0002053 | Pa×s | 422.78 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [313.56; 458.56] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.40381e+01 | |||
| Coefficient B | -3.46329e+03 | |||
| Coefficient C | -6.16960e+01 | |||
| Temperature range, min. | 313.56 | |||
| Temperature range, max. | 458.56 | |||
| Pvap | 1.33 | kPa | 313.56 | Calculated Property |
| Pvap | 3.05 | kPa | 329.67 | Calculated Property |
| Pvap | 6.34 | kPa | 345.78 | Calculated Property |
| Pvap | 12.20 | kPa | 361.89 | Calculated Property |
| Pvap | 21.95 | kPa | 378.00 | Calculated Property |
| Pvap | 37.32 | kPa | 394.12 | Calculated Property |
| Pvap | 60.41 | kPa | 410.23 | Calculated Property |
| Pvap | 93.72 | kPa | 426.34 | Calculated Property |
| Pvap | 140.07 | kPa | 442.45 | Calculated Property |
| Pvap | 202.64 | kPa | 458.56 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 2,3,4,5-tetramethyl-.
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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