- InChI
- InChI=1S/C8H18/c1-7(2,3)8(4,5)6/h1-6H3
- InChI Key
- OMMLUKLXGSRPHK-UHFFFAOYSA-N
- Formula
- C8H18
- SMILES
- CC(C)(C)C(C)(C)C
- Molecular Weight1
- 114.23
- CAS
- 594-82-1
- Other Names
-
- (CH3)3CC(CH3)3
- 2,2,3,3-Tetramethylbutane
- Ethane, hexamethyl-
- HEXAMETHYLETHANE
- TETRAMETHYLBUTANE
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Inp : Non-polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°gas : Molar entropy at standard conditions (J/mol×K).
- γ : Surface Tension (N/m).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- Zra : Rackett Parameter.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2510 | KDB | |
| ΔcH°solid | [-5451.90; -5451.50] | kJ/mol |
|
| ΔcH°solid | -5451.50 ± 1.10 | kJ/mol | NIST |
| ΔcH°solid | -5451.90 ± 1.80 | kJ/mol | NIST |
| ΔfG° | 22.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-226.20; -225.90] | kJ/mol |
|
| ΔfH°gas | -226.20 | kJ/mol | NIST |
| ΔfH°gas | -225.90 ± 1.90 | kJ/mol | NIST |
| ΔfH°solid | [-269.10; -268.80] | kJ/mol |
|
| ΔfH°solid | -269.10 ± 1.20 | kJ/mol | NIST |
| ΔfH°solid | -268.80 ± 1.90 | kJ/mol | NIST |
| ΔfusH° | 1.65 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [42.90; 43.40] | kJ/mol |
|
| ΔsubH° | 43.37 ± 0.21 | kJ/mol | NIST |
| ΔsubH° | 43.40 ± 0.20 | kJ/mol | NIST |
| ΔsubH° | 42.90 ± 0.90 | kJ/mol | NIST |
| ΔsubH° | 42.90 | kJ/mol | NIST |
| ΔvapH° | [42.91; 42.94] | kJ/mol |
|
| ΔvapH° | 42.94 | kJ/mol | NIST |
| ΔvapH° | 42.91 | kJ/mol | NIST |
| IE | [9.79; 10.37] | eV |
|
| IE | 9.80 | eV | NIST |
| IE | 9.79 | eV | NIST |
| IE | 9.80 | eV | NIST |
| IE | 10.37 | eV | NIST |
| IE | 10.20 ± 0.05 | eV | NIST |
| log10WS | -2.69 | Crippen Calculated Property | |
| logPoct/wat | 3.079 | Crippen Calculated Property | |
| McVol | 123.580 | ml/mol | McGowan Calculated Property |
| Pc | 2870.00 | kPa | KDB |
| Inp | [676.00; 773.00] |
|
|
| Inp | 724.00 | NIST | |
| Inp | 726.10 | NIST | |
| Inp | 730.20 | NIST | |
| Inp | 723.70 | NIST | |
| Inp | 723.90 | NIST | |
| Inp | 731.00 | NIST | |
| Inp | Outlier 773.00 | NIST | |
| Inp | 736.00 | NIST | |
| Inp | 733.28 | NIST | |
| Inp | 736.21 | NIST | |
| Inp | 739.23 | NIST | |
| Inp | 727.21 | NIST | |
| Inp | 730.14 | NIST | |
| Inp | 720.00 | NIST | |
| Inp | 722.00 | NIST | |
| Inp | 724.00 | NIST | |
| Inp | 726.00 | NIST | |
| Inp | 728.00 | NIST | |
| Inp | 720.00 | NIST | |
| Inp | 733.00 | NIST | |
| Inp | 724.00 | NIST | |
| Inp | 720.00 | NIST | |
| Inp | 726.00 | NIST | |
| Inp | 730.00 | NIST | |
| Inp | 735.00 | NIST | |
| Inp | 721.00 | NIST | |
| Inp | 726.00 | NIST | |
| Inp | 731.00 | NIST | |
| Inp | 723.00 | NIST | |
| Inp | 728.00 | NIST | |
| Inp | 731.00 | NIST | |
| Inp | 729.00 | NIST | |
| Inp | 720.00 | NIST | |
| Inp | 716.00 | NIST | |
| Inp | 710.35 | NIST | |
| Inp | 712.98 | NIST | |
| Inp | 714.69 | NIST | |
| Inp | 712.25 | NIST | |
| Inp | 714.80 | NIST | |
| Inp | 716.46 | NIST | |
| Inp | 726.00 | NIST | |
| Inp | 719.00 | NIST | |
| Inp | 735.00 | NIST | |
| Inp | Outlier 676.00 | NIST | |
| Inp | 729.00 | NIST | |
| S°gas | 389.30 ± 1.30 | J/mol×K | NIST |
| S°solid,1 bar | [256.90; 273.76] | J/mol×K |
|
| S°solid,1 bar | 273.76 | J/mol×K | NIST |
| S°solid,1 bar | 256.90 | J/mol×K | NIST |
| Tboil | 379.60 | K | KDB |
| Tc | 567.80 | K | KDB |
| Tfus | 373.80 | K | KDB |
| Ttriple | 373.97 ± 0.07 | K | NIST |
| Vc | 0.461 | m3/kmol | KDB |
| Zc | 0.2802530 | KDB | |
| Zra | 0.27 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [233.87; 319.38] | J/mol×K | [375.98; 562.03] |
|
| Cp,gas | 233.87 | J/mol×K | 375.98 | Joback Calculated Property |
| Cp,gas | 250.27 | J/mol×K | 406.99 | Joback Calculated Property |
| Cp,gas | 265.77 | J/mol×K | 438.00 | Joback Calculated Property |
| Cp,gas | 280.38 | J/mol×K | 469.01 | Joback Calculated Property |
| Cp,gas | 294.16 | J/mol×K | 500.01 | Joback Calculated Property |
| Cp,gas | 307.15 | J/mol×K | 531.02 | Joback Calculated Property |
| Cp,gas | 319.38 | J/mol×K | 562.03 | Joback Calculated Property |
| Cp,solid | [232.20; 239.62] | J/mol×K | [295.40; 301.60] |
|
| Cp,solid | 232.20 | J/mol×K | 295.40 | NIST |
| Cp,solid | 239.62 | J/mol×K | 301.60 | NIST |
| η | [0.0003175; 0.0223115] | Pa×s | [184.76; 375.98] |
|
| η | 0.0223115 | Pa×s | 184.76 | Joback Calculated Property |
| η | 0.0065211 | Pa×s | 216.63 | Joback Calculated Property |
| η | 0.0026130 | Pa×s | 248.50 | Joback Calculated Property |
| η | 0.0012890 | Pa×s | 280.37 | Joback Calculated Property |
| η | 0.0007345 | Pa×s | 312.24 | Joback Calculated Property |
| η | 0.0004645 | Pa×s | 344.11 | Joback Calculated Property |
| η | 0.0003175 | Pa×s | 375.98 | Joback Calculated Property |
| ΔfusH | [2.00; 7.54] | kJ/mol | [152.50; 373.90] |
|
| ΔfusH | 2.00 | kJ/mol | 152.50 | NIST |
| ΔfusH | 7.54 | kJ/mol | 373.90 | NIST |
| ΔfusH | 7.54 | kJ/mol | 373.90 | NIST |
| ΔsubH | [43.60; 56.20] | kJ/mol | [271.00; 331.50] |
|
| ΔsubH | 56.20 | kJ/mol | 271.00 | NIST |
| ΔsubH | 43.60 | kJ/mol | 331.50 | NIST |
| ΔvapH | [31.42; 333.00] | kJ/mol | [379.60; 383.50] |
|
| ΔvapH | 31.42 | kJ/mol | 379.60 | KDB |
| ΔvapH | 333.00 | kJ/mol | 383.50 | NIST |
| ΔfusS | [13.11; 20.16] | J/mol×K | [152.50; 373.90] |
|
| ΔfusS | 13.11 | J/mol×K | 152.50 | NIST |
| ΔfusS | 20.16 | J/mol×K | 373.90 | NIST |
| γ | 0.02 | N/m | 298.20 | KDB |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 379.70 | K | 102.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [280.62; 405.36] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.31777e+01 | |||
| Coefficient B | -2.51762e+03 | |||
| Coefficient C | -8.53050e+01 | |||
| Temperature range, min. | 280.62 | |||
| Temperature range, max. | 405.36 | |||
| Pvap | 1.33 | kPa | 280.62 | Calculated Property |
| Pvap | 3.13 | kPa | 294.48 | Calculated Property |
| Pvap | 6.62 | kPa | 308.34 | Calculated Property |
| Pvap | 12.81 | kPa | 322.20 | Calculated Property |
| Pvap | 23.05 | kPa | 336.06 | Calculated Property |
| Pvap | 39.00 | kPa | 349.92 | Calculated Property |
| Pvap | 62.62 | kPa | 363.78 | Calculated Property |
| Pvap | 96.12 | kPa | 377.64 | Calculated Property |
| Pvap | 141.95 | kPa | 391.50 | Calculated Property |
| Pvap | 202.66 | kPa | 405.36 | Calculated Property |
| Pvap | [0.41; 2889.39] | kPa | [270.00; 567.80] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.32058e+02 | |||
| Coefficient B | -9.96316e+03 | |||
| Coefficient C | -1.72776e+01 | |||
| Coefficient D | 9.39147e-06 | |||
| Temperature range, min. | 270.00 | |||
| Temperature range, max. | 567.80 | |||
| Pvap | 0.41 | kPa | 270.00 | Calculated Property |
| Pvap | 3.76 | kPa | 303.09 | Calculated Property |
| Pvap | 19.46 | kPa | 336.18 | Calculated Property |
| Pvap | 68.12 | kPa | 369.27 | Calculated Property |
| Pvap | 180.77 | kPa | 402.36 | Calculated Property |
| Pvap | 392.98 | kPa | 435.44 | Calculated Property |
| Pvap | 738.89 | kPa | 468.53 | Calculated Property |
| Pvap | 1249.24 | kPa | 501.62 | Calculated Property |
| Pvap | 1954.22 | kPa | 534.71 | Calculated Property |
| Pvap | 2889.39 | kPa | 567.80 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 2,2,3,3-tetramethyl-.
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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