Chemical Properties of 1-Butene, 2,3,3-trimethyl- (CAS 594-56-9)

1-Butene, 2,3,3-trimethyl-

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InChI
InChI=1S/C7H14/c1-6(2)7(3,4)5/h1H2,2-5H3
InChI Key
AUYRUAVCWOAHQN-UHFFFAOYSA-N
Formula
C7H14
SMILES
C=C(C)C(C)(C)C
Molecular Weight1
98.19
CAS
594-56-9
Other Names
  • (CH3)3CC(CH3)=CH2
  • 2,3,3-Trimethyl-1-butene
  • 2,3,3-trimethylbut-1-ene
  • Triptene
Sources

Physical Properties

Property Value Unit Source
Δcliquid -4637.70 ± 1.20 kJ/mol NIST
Δf 90.19 kJ/mol Joback Calculated Property
Δfgas -80.92 kJ/mol Joback Calculated Property
Δfus 3.88 kJ/mol Joback Calculated Property
Δvap 34.30 kJ/mol NIST
Δvap 32.10 kJ/mol NIST
IE 9.02 ± 0.01 eV NIST
logPoct/wat 2.609 Crippen Calculated Property
Pc 3005.73 kPa Joback Calculated Property
Tboil [350.15; 353.15] K Show Hide
Tboil 352.20 K NIST
Tboil 351.10 K NIST
Tboil 350.85 ± 0.50 K NIST
Tboil 351.05 ± 0.50 K NIST
Tboil 350.95 ± 0.40 K NIST
Tboil 351.05 ± 0.60 K NIST
Tboil 350.15 ± 3.00 K NIST
Tboil 351.15 ± 2.00 K NIST
Tboil 351.02 ± 0.30 K NIST
Tboil 351.05 ± 0.30 K NIST
Tboil 350.40 ± 1.00 K NIST
Tboil 351.02 ± 0.04 K NIST
Tboil Outlier 353.15 ± 0.60 K NIST
Tboil 351.05 ± 0.50 K NIST
Tboil 351.40 ± 2.00 K NIST
Tboil 350.15 ± 2.00 K NIST
Tboil 351.15 ± 0.60 K NIST
Tboil 351.10 ± 0.50 K NIST
Tboil 352.15 ± 3.00 K NIST
Tboil 352.15 ± 3.00 K NIST
Tc 534.95 K Joback Calculated Property
Tfus [153.25; 163.15] K Show Hide
Tfus 163.15 ± 0.06 K NIST
Tfus 161.30 ± 0.50 K NIST
Tfus 161.25 ± 0.50 K NIST
Tfus 153.25 ± 0.30 K NIST
Tfus 161.75 ± 0.10 K NIST
Vc 0.399 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 180.89 J/mol×K 352.89 Joback Calculated Property
ΔvapH 32.10 kJ/mol 319.5 NIST
ΔvapH 32.40 kJ/mol 320.5 NIST

Molecular Descriptors

Joback and Reid Groups
=CH2 1
=C< 1
>C< 1
-CH3 4

Similar Compounds

1-Butene, 2,3-dimethyl-. 1-Butene, 2-ethyl-3,3-dimethyl. 2-Pentene, 3,4,4-trimethyl-. Z-3,4,4-Trimethyl-2-pentene. (E)-3,4,4-Trimethylpent-2-ene. 1-Pentene, 2,3,3-trimethyl-. 1,4-Pentadiene, 2,3,3-trimethyl-. 1-Pentene, 3,3-dimethyl-. 1-Butene, 2-ethyl-3-methyl-. Cyclopropane, 1,1-dimethyl-2-methylene-. 1,3,3-Trimethylcyclopropene. 2-Pentene, 3,4-dimethyl-, (E)-. 2-Pentene, 3,4-dimethyl-. 2-Pentene, 3,4-dimethyl-, (Z)-. 1-Butene, 3,3-dimethyl-.

Find more compounds similar to 1-Butene, 2,3,3-trimethyl-.

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