Chemical Properties of Butane, 2,2,3,3-tetramethyl- (CAS 594-82-1)

Butane, 2,2,3,3-tetramethyl-

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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
Sources

Physical Properties

Property Value Unit Source
Δcsolid -5451.50 ± 1.10 kJ/mol NIST
Δcsolid -5451.90 ± 1.80 kJ/mol NIST
Δf 22.16 kJ/mol Joback Calculated Property
Δfgas -226.20 kJ/mol NIST
Δfgas -225.90 ± 1.90 kJ/mol NIST
Δfsolid -269.10 ± 1.20 kJ/mol NIST
Δfsolid -268.80 ± 1.90 kJ/mol NIST
Δfus 1.65 kJ/mol Joback Calculated Property
Δsub [42.90; 43.40] kJ/mol Show Hide
Δsub 43.37 ± 0.21 kJ/mol NIST
Δsub 43.40 ± 0.20 kJ/mol NIST
Δsub 42.90 ± 0.90 kJ/mol NIST
Δsub 42.90 kJ/mol NIST
Δvap 42.94 kJ/mol NIST
Δvap 42.91 kJ/mol NIST
IE [9.79; 10.37] eV Show Hide
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
logPoct/wat 3.08 Crippen Calculated Property
Pc 2635.25 kPa Joback Calculated Property
gas 389.30 ± 1.30 J/mol×K NIST
solid,1 bar 273.76 J/mol×K NIST
solid,1 bar 256.90 J/mol×K NIST
Tboil [379.00; 379.95] K Show Hide
Tboil 379.70 K NIST
Tboil Outlier 379.00 ± 2.00 K NIST
Tboil 379.40 ± 0.30 K NIST
Tboil 379.65 ± 0.30 K NIST
Tboil 379.65 ± 0.60 K NIST
Tboil 379.70 ± 0.30 K NIST
Tboil 379.95 ± 0.60 K NIST
Tc 562.03 K Joback Calculated Property
Tfus [365.15; 377.15] K Show Hide
Tfus 373.00 ± 2.00 K NIST
Tfus 373.90 ± 0.50 K NIST
Tfus 374.65 ± 1.00 K NIST
Tfus 372.44 ± 0.50 K NIST
Tfus 374.15 ± 1.50 K NIST
Tfus 372.44 ± 0.50 K NIST
Tfus 374.15 ± 1.50 K NIST
Tfus 373.84 ± 0.05 K NIST
Tfus 372.65 ± 1.00 K NIST
Tfus 373.99 ± 0.30 K NIST
Tfus 374.10 ± 0.20 K NIST
Tfus 374.25 ± 0.70 K NIST
Tfus 374.25 ± 0.60 K NIST
Tfus Outlier 365.15 ± 2.00 K NIST
Tfus 374.65 ± 0.40 K NIST
Tfus 374.35 ± 0.40 K NIST
Tfus 377.00 ± 1.50 K NIST
Tfus 374.20 ± 0.40 K NIST
Tfus 374.15 ± 1.00 K NIST
Tfus 377.15 ± 2.00 K NIST
Tfus 376.65 ± 2.00 K NIST
Ttriple 373.97 ± 0.07 K NIST
Vc 0.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 233.87 J/mol×K 375.98 Joback Calculated Property
Cp,solid 232.20 J/mol×K 295.4 NIST
Cp,solid 239.62 J/mol×K 301.6 NIST
η 0.00 Pa×s 375.98 Joback Calculated Property
ΔfusH 2.00 kJ/mol 152.5 NIST
ΔfusH 7.54 kJ/mol 373.9 NIST
ΔsubH 56.20 kJ/mol 271.0 NIST
ΔsubH 43.60 kJ/mol 331.5 NIST
ΔvapH 333.00 kJ/mol 383.5 NIST
ΔfusS 13.11 J/mol×K 152.5 NIST
ΔfusS 20.16 J/mol×K 373.9 NIST

Molecular Descriptors

Joback and Reid Groups
-CH3 6
>C< 2

Similar Compounds

Butane, 2,2,3-trimethyl-. Butane, 2,2-dimethyl-. Butane, 2,3-dimethyl-. Pentane, 2,2,3-trimethyl-. Pentane, 2,3,3-trimethyl-. Pentane, 2,2,3,3-tetramethyl-. Pentane, 3,3-dimethyl-. Pentane, 2,2-dimethyl-. (1,1-dimethylethyl)-cyclopropane. 3-methylbutyl radical. Pentane, 3-ethyl-2,2-dimethyl-. Butane, 2-methyl-. 1,2-dimethylpropyl radical. Pentane, 2,3,3,4-tetramethyl-. 1-Butanol, 3,3-dimethyl-.

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.