Chemical Properties of Butane, 2,2,3-trimethyl- (CAS 464-06-2)

Butane, 2,2,3-trimethyl-

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InChI
InChI=1S/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3
InChI Key
ZISSAWUMDACLOM-UHFFFAOYSA-N
Formula
C7H16
SMILES
CC(C)C(C)(C)C
Molecular Weight1
100.20
CAS
464-06-2
Other Names
  • 2,2,3-Trimethylbutane
  • Triptan
  • Triptane
Sources

Physical Properties

Property Value Unit Source
Δcliquid -4803.99 ± 0.50 kJ/mol NIST
Δcliquid -4804.40 ± 1.00 kJ/mol NIST
Δcliquid -4803.00 ± 1.00 kJ/mol NIST
Δf 8.46 kJ/mol Joback Calculated Property
Δfgas -204.80 ± 1.10 kJ/mol NIST
Δfgas -205.90 kJ/mol NIST
Δfliquid -236.90 ± 1.10 kJ/mol NIST
Δfliquid -238.00 ± 1.00 kJ/mol NIST
Δfus 2.95 kJ/mol Joback Calculated Property
Δvap 32.19 kJ/mol NIST
Δvap 32.00 kJ/mol NIST
Δvap 32.04 kJ/mol NIST
logPoct/wat 2.69 Crippen Calculated Property
Pc 2950.00 ± 50.00 kPa NIST
Pc 2953.20 ± 40.53 kPa NIST
Pc 3014.42 ± 50.66 kPa NIST
liquid 292.25 J/mol×K NIST
liquid 27.11 J/mol×K NIST
Tboil [353.05; 354.20] K Show Hide
Tboil 354.10 K NIST
Tboil 354.00 K NIST
Tboil 354.03 ± 0.30 K NIST
Tboil 354.15 ± 0.20 K NIST
Tboil 354.00 ± 0.20 K NIST
Tboil 354.20 ± 0.30 K NIST
Tboil 354.03 ± 0.02 K NIST
Tboil 354.05 ± 0.20 K NIST
Tboil 354.05 ± 0.30 K NIST
Tboil 354.15 ± 0.30 K NIST
Tboil 354.00 ± 0.20 K NIST
Tboil 354.05 ± 0.30 K NIST
Tboil 353.95 ± 0.20 K NIST
Tboil 354.05 ± 0.20 K NIST
Tboil 354.20 ± 0.10 K NIST
Tboil Outlier 353.05 ± 0.50 K NIST
Tboil 354.03 ± 0.06 K NIST
Tboil 354.20 ± 0.10 K NIST
Tboil 353.95 ± 0.30 K NIST
Tboil 353.75 ± 0.30 K NIST
Tboil 354.05 ± 0.20 K NIST
Tboil 353.85 ± 1.00 K NIST
Tboil 354.06 ± 0.10 K NIST
Tboil 354.03 ± 0.10 K NIST
Tboil 354.02 ± 0.05 K NIST
Tboil 354.02 ± 0.05 K NIST
Tboil 354.15 ± 0.50 K NIST
Tboil 354.15 ± 0.20 K NIST
Tboil 354.11 ± 0.10 K NIST
Tboil 354.15 ± 0.50 K NIST
Tboil 354.15 ± 0.20 K NIST
Tboil 354.00 ± 0.30 K NIST
Tboil 354.15 ± 0.50 K NIST
Tboil 354.05 ± 0.50 K NIST
Tboil 354.05 ± 0.50 K NIST
Tboil 353.90 ± 0.50 K NIST
Tboil 353.90 ± 0.20 K NIST
Tc [531.10; 531.45] K Show Hide
Tc 531.10 ± 0.30 K NIST
Tc 531.10 K NIST
Tc 531.11 ± 0.40 K NIST
Tc 531.45 ± 0.50 K NIST
Tfus [236.65; 249.02] K Show Hide
Tfus 248.03 ± 0.20 K NIST
Tfus 248.09 ± 0.50 K NIST
Tfus 248.02 ± 0.30 K NIST
Tfus 248.22 ± 0.03 K NIST
Tfus 247.05 ± 0.50 K NIST
Tfus 248.09 ± 0.20 K NIST
Tfus 249.02 ± 0.20 K NIST
Tfus 246.88 ± 0.08 K NIST
Tfus 248.02 ± 0.15 K NIST
Tfus Outlier 236.65 ± 10.00 K NIST
Tfus 248.09 ± 0.03 K NIST
Tfus 246.85 ± 0.30 K NIST
Tfus 246.85 ± 0.20 K NIST
Tfus 247.75 ± 0.50 K NIST
Tfus 248.15 ± 0.50 K NIST
Tfus 248.15 ± 0.50 K NIST
Tfus 248.15 ± 2.00 K NIST
Tfus 248.20 ± 0.40 K NIST
Ttriple [247.70; 248.56] K Show Hide
Ttriple 248.56 ± 0.07 K NIST
Ttriple 248.48 ± 0.05 K NIST
Ttriple 248.53 ± 0.03 K NIST
Ttriple 248.53 ± 0.05 K NIST
Ttriple 247.70 ± 0.20 K NIST
Vc 0.40 m3/kg-mol NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [178.82; 239.99] J/mol×K [328.80; 461.80] Show Hide
Plot of Ideal gas heat capacity.
Cp,gas 178.82 ± 0.18 J/mol×K 328.8 NIST
Cp,gas 188.66 ± 0.19 J/mol×K 348.85 NIST
Cp,gas 198.28 ± 0.20 J/mol×K 369.2 NIST
Cp,gas 213.05 ± 0.21 J/mol×K 400.4 NIST
Cp,gas 228.20 ± 0.23 J/mol×K 434.3 NIST
Cp,gas 239.99 ± 0.24 J/mol×K 461.8 NIST
Cp,liquid 208.40 J/mol×K 293.9 NIST
Cp,liquid 213.51 J/mol×K 298.15 NIST
η 0.00 Pa×s 355.89 Joback Calculated Property
ΔfusH 2.38 kJ/mol 121.0 NIST
ΔfusH 2.20 kJ/mol 247.7 NIST
ΔvapH [28.90; 32.40] kJ/mol [314.00; 418.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 31.20 ± 0.10 kJ/mol 314.0 NIST
ΔvapH 32.40 kJ/mol 319.5 NIST
ΔvapH 32.30 kJ/mol 320.5 NIST
ΔvapH 31.90 kJ/mol 337.0 NIST
ΔvapH 28.90 kJ/mol 354.0 NIST
ΔvapH 29.90 kJ/mol 418.0 NIST
ΔfusS 19.64 J/mol×K 121.0 NIST
ΔfusS 8.88 J/mol×K 247.7 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CH3 5
>C< 1

Similar Compounds

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

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