- InChI
- InChI=1S/C10H22/c1-7-10(5,6)9(4)8(2)3/h8-9H,7H2,1-6H3
- InChI Key
- XDRDDPSGUQMOBO-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CCC(C)(C)C(C)C(C)C
- Molecular Weight1
- 142.29
- CAS
- 52897-12-8
- Other Names
-
- 2,3,4,4-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).
- 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 | 0.3412 | Relay (1.0) Calculated Property | |
| ΔfG° | 31.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -247.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.00 | kJ/mol | NIST |
| logPoct/wat | 3.715 | Crippen Calculated Property | |
| McVol | 151.760 | ml/mol | McGowan Calculated Property |
| Pc | 2177.49 | kPa | Joback Calculated Property |
| Inp | [935.00; 936.30] |
|
|
| Inp | 935.00 | NIST | |
| Inp | 935.00 | NIST | |
| Inp | Outlier 936.30 | NIST | |
| Inp | 935.00 | NIST | |
| Inp | 935.00 | NIST | |
| Inp | 935.00 | NIST | |
| Inp | 935.00 | NIST | |
| Tboil | [434.75; 435.95] | K |
|
| Tboil | 434.75 ± 0.40 | K | NIST |
| Tboil | 435.95 ± 1.00 | K | NIST |
| Tc | 617.51 | K | Relay (1.0) Calculated Property |
| Tfus | 167.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.527 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.53; 537.78] | 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 | -3.40390e+01 | |||
| Coefficient B | 1.09152e+00 | |||
| Coefficient C | -6.98400e-04 | |||
| Coefficient D | 1.78700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 215.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 272.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 323.07 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 367.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 406.31 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 440.23 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 469.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 495.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 517.98 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 537.78 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0446565; 0.0002313] | Pa×s | [174.88; 423.35] |
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 | -1.20762e+01 | |||
| Coefficient B | 1.56822e+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. | 174.88 | |||
| Temperature range, max. | 423.35 | |||
| η | 0.0446565 | Pa×s | 174.88 | Calculated Property |
| η | 0.0131489 | Pa×s | 202.49 | Calculated Property |
| η | 0.0051918 | Pa×s | 230.10 | Calculated Property |
| η | 0.0025016 | Pa×s | 257.70 | Calculated Property |
| η | 0.0013883 | Pa×s | 285.31 | Calculated Property |
| η | 0.0008548 | Pa×s | 312.92 | Calculated Property |
| η | 0.0005694 | Pa×s | 340.53 | Calculated Property |
| η | 0.0004031 | Pa×s | 368.14 | Calculated Property |
| η | 0.0002995 | Pa×s | 395.75 | Calculated Property |
| η | 0.0002313 | Pa×s | 423.35 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [315.65; 464.77] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.40592e+01 | |||
| Coefficient B | -3.57590e+03 | |||
| Coefficient C | -5.59900e+01 | |||
| Temperature range, min. | 315.65 | |||
| Temperature range, max. | 464.77 | |||
| Pvap | 1.33 | kPa | 315.65 | Calculated Property |
| Pvap | 3.05 | kPa | 332.22 | Calculated Property |
| Pvap | 6.34 | kPa | 348.79 | Calculated Property |
| Pvap | 12.19 | kPa | 365.36 | Calculated Property |
| Pvap | 21.93 | kPa | 381.93 | Calculated Property |
| Pvap | 37.29 | kPa | 398.49 | Calculated Property |
| Pvap | 60.37 | kPa | 415.06 | Calculated Property |
| Pvap | 93.67 | kPa | 431.63 | Calculated Property |
| Pvap | 140.03 | kPa | 448.20 | Calculated Property |
| Pvap | 202.64 | kPa | 464.77 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 2,3,4,4-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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