Chemical Properties of 1-Butene, 3,3-dimethyl- (CAS 558-37-2)

1-Butene, 3,3-dimethyl-

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InChI
InChI=1S/C6H12/c1-5-6(2,3)4/h5H,1H2,2-4H3
InChI Key
PKXHXOTZMFCXSH-UHFFFAOYSA-N
Formula
C6H12
SMILES
C=CC(C)(C)C
Molecular Weight1
84.16
CAS
558-37-2
Other Names
  • (CH3)3CCH=CH2
  • 2,2-Dimethyl-3-butene
  • 3,3-Dimethyl-1-butene
  • 3,3-Dimethylbut-1-ene
  • 3,3-Dimethylbutene
  • NSC 74119
  • Neohexene
  • Trimethylvinylmethane
  • tert-Butylethene
  • tert-Butylethylene
  • tert-Hexene
Sources

Physical Properties

Property Value Unit Source
Δf 90.32 kJ/mol Joback Calculated Property
Δfgas -50.49 kJ/mol Joback Calculated Property
Δfus 2.60 kJ/mol Joback Calculated Property
Δvap [26.60; 27.40] kJ/mol Show Hide
Δvap 26.60 kJ/mol NIST
Δvap 27.40 kJ/mol NIST
Δvap 26.60 kJ/mol NIST
Δvap 26.60 kJ/mol NIST
IE [9.44; 9.70] eV Show Hide
IE 9.45 ± 0.02 eV NIST
IE 9.44 eV NIST
IE 9.45 ± 0.01 eV NIST
IE 9.62 ± 0.04 eV NIST
IE 9.70 eV NIST
logPoct/wat 2.218 Crippen Calculated Property
Pc 3329.68 kPa Joback Calculated Property
gas 343.76 J/mol×K NIST
liquid 156.50 J/mol×K NIST
Tboil [313.50; 314.65] K Show Hide
Tboil 314.40 K NIST
Tboil Outlier 313.50 ± 0.50 K NIST
Tboil 314.43 ± 0.10 K NIST
Tboil 314.36 ± 0.20 K NIST
Tboil 314.15 ± 1.50 K NIST
Tboil 314.60 ± 0.50 K NIST
Tboil 314.40 ± 3.00 K NIST
Tboil 314.00 ± 4.00 K NIST
Tboil 314.38 ± 0.20 K NIST
Tboil 314.55 ± 0.40 K NIST
Tboil 314.35 ± 0.50 K NIST
Tboil 314.37 ± 0.20 K NIST
Tboil 314.37 ± 0.20 K NIST
Tboil 314.15 ± 0.30 K NIST
Tboil 314.35 ± 1.00 K NIST
Tboil 314.35 ± 0.50 K NIST
Tboil 314.60 ± 0.50 K NIST
Tboil 314.38 ± 0.05 K NIST
Tboil 314.65 ± 2.00 K NIST
Tboil 314.35 ± 0.50 K NIST
Tboil 314.33 ± 0.20 K NIST
Tboil 314.25 ± 0.50 K NIST
Tboil 314.35 ± 0.50 K NIST
Tc 508.46 K Joback Calculated Property
Tfus [157.62; 158.08] K Show Hide
Tfus 157.88 ± 0.07 K NIST
Tfus 157.92 ± 0.05 K NIST
Tfus 158.08 ± 0.50 K NIST
Tfus 157.91 ± 0.40 K NIST
Tfus 157.62 ± 0.06 K NIST
Ttriple 158.40 ± 0.20 K NIST
Vc 0.342 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 145.53 J/mol×K 330.13 Joback Calculated Property
Cp,liquid 188.28 J/mol×K 295.9 NIST
η 0.0002697 Pa×s 330.13 Joback Calculated Property
ΔfusH 1.09 kJ/mol 158.4 NIST
ΔvapH 28.60 kJ/mol 285.0 NIST

Molecular Descriptors

Joback and Reid Groups
=CH2 1
-CH3 3
>C< 1
=CH- 1

Similar Compounds

1-Butene, 3-methyl-. 3-Butenyl, 2-methyl-. 1,4-Pentadiene, 3,3-dimethyl-. 2-Pentene, 4,4-dimethyl-, (E)-. cis-1,1,1-Trimethyl-2-butene. 2-Pentene, 4,4-dimethyl-, (Z)-. 2-Pentene, 4,4-dimethyl-. 1,4-Pentadiene, 3-methyl-. 1-Pentene, 3,3-dimethyl-. 2-Pentene, 4-methyl-. 1,4-Pentadiene, 3-ethenyl-. 2-Pentene, 4-methyl-, (Z)-. 2-Pentene, 4-methyl-, (E)-. 1-Butene, 2,3,3-trimethyl-. 3-Hexene, 2,2-dimethyl-.

Find more compounds similar to 1-Butene, 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.