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
  • NEOHEXENE
  • NSC 74119
  • TERT-BUTYLETHENE
  • TERT-HEXENE
  • Trimethylvinylmethane
  • tert-Butylethylene

Physical Properties

Property Value Unit Source
ω 0.1210 KDB
Δf 98.22 kJ/mol KDB
Δc,grossH 3988.65 kJ/mol KDB
Δc,netH 3724.555 kJ/mol KDB
Δfgas -61.55 kJ/mol KDB
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
log10WS -1.95 Crippen Calculated Property
logPoct/wat 2.219 Crippen Calculated Property
McVol 91.100 ml/mol McGowan Calculated Property
Pc 3250.00 kPa KDB
Inp [505.00; 517.00]   Show Hide
Inp 513.90 NIST
Inp 505.30 NIST
Inp 505.00 NIST
Inp 514.00 NIST
Inp 514.00 NIST
Inp 509.00 NIST
Inp 507.00 NIST
Inp 507.00 NIST
Inp 505.00 NIST
Inp 515.00 NIST
Inp 506.00 NIST
Inp 507.00 NIST
Inp 509.00 NIST
Inp 510.00 NIST
Inp 515.00 NIST
Inp 517.00 NIST
Inp 515.00 NIST
Inp 513.10 NIST
Inp 510.00 NIST
Inp 507.40 NIST
Inp 506.00 NIST
Inp 513.00 NIST
Inp 510.00 NIST
Inp 512.00 NIST
Inp 510.00 NIST
Inp 509.00 NIST
Inp 517.00 NIST
Inp 507.40 NIST
Inp 513.00 NIST
Inp 517.00 NIST
Inp 513.10 NIST
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 KDB
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 [477.40; 490.00] K Show Hide
Tc 490.00 K KDB
Tc 477.40 K Gas-Liq...
Tfus [157.62; 158.08] K Show Hide
Tfus 158.00 K KDB
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 0.340 m3/kmol KDB
Zc 0.2712250 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [145.53; 206.63] J/mol×K [330.13; 508.46] Show Hide
Cp,gas 145.53 J/mol×K 330.13 Joback Calculated Property
Cp,gas 157.12 J/mol×K 359.85 Joback Calculated Property
Cp,gas 168.11 J/mol×K 389.57 Joback Calculated Property
Cp,gas 178.54 J/mol×K 419.29 Joback Calculated Property
Cp,gas 188.42 J/mol×K 449.01 Joback Calculated Property
Cp,gas 197.78 J/mol×K 478.73 Joback Calculated Property
Cp,gas 206.63 J/mol×K 508.46 Joback Calculated Property
Cp,liquid 188.28 J/mol×K 295.90 NIST
η [0.0002699; 0.0086393] Pa×s [158.04; 330.13] Show Hide
η 0.0086393 Pa×s 158.04 Joback Calculated Property
η 0.0031112 Pa×s 186.72 Joback Calculated Property
η 0.0014706 Pa×s 215.40 Joback Calculated Property
η 0.0008290 Pa×s 244.09 Joback Calculated Property
η 0.0005272 Pa×s 272.77 Joback Calculated Property
η 0.0003654 Pa×s 301.45 Joback Calculated Property
η 0.0002699 Pa×s 330.13 Joback Calculated Property
ΔfusH 1.09 kJ/mol 158.40 NIST
ΔvapH [25.65; 28.60] kJ/mol [285.00; 314.40] Show Hide
ΔvapH 28.60 kJ/mol 285.00 NIST
ΔvapH 25.65 kJ/mol 314.40 KDB
n0 1.37313 298.15 KDB
ρl 653.00 kg/m3 293.00 KDB
γ 0.01 N/m 298.20 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [226.48; 336.68] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.39108e+01
Coefficient B-2.56964e+03
Coefficient C-3.78610e+01
Temperature range, min.226.48
Temperature range, max.336.68
Pvap 1.33 kPa 226.48 Calculated Property
Pvap 3.06 kPa 238.72 Calculated Property
Pvap 6.38 kPa 250.97 Calculated Property
Pvap 12.28 kPa 263.21 Calculated Property
Pvap 22.10 kPa 275.46 Calculated Property
Pvap 37.55 kPa 287.70 Calculated Property
Pvap 60.72 kPa 299.95 Calculated Property
Pvap 94.05 kPa 312.19 Calculated Property
Pvap 140.34 kPa 324.44 Calculated Property
Pvap 202.66 kPa 336.68 Calculated Property
Pvap [5.75e-04; 3434.60] kPa [157.95; 490.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A8.15833e+01
Coefficient B-5.85339e+03
Coefficient C-1.03191e+01
Coefficient D1.00976e-05
Temperature range, min.157.95
Temperature range, max.490.00
Pvap 5.75e-04 kPa 157.95 Calculated Property
Pvap 0.08 kPa 194.84 Calculated Property
Pvap 1.96 kPa 231.74 Calculated Property
Pvap 16.52 kPa 268.63 Calculated Property
Pvap 75.31 kPa 305.53 Calculated Property
Pvap 232.93 kPa 342.42 Calculated Property
Pvap 559.13 kPa 379.32 Calculated Property
Pvap 1133.23 kPa 416.21 Calculated Property
Pvap 2049.59 kPa 453.11 Calculated Property
Pvap 3434.60 kPa 490.00 Calculated Property

Similar Compounds

1,4-Pentadiene, 3,3-dimethyl-. Cyclopropene, 3-methyl-3-vinyl-. 2,2-Dimethyl-1,3,5-hexatriene. 3-Hexene, 2,2,5,5-tetramethyl-, (Z)-. 3-Hexene, 2,2,5,5-tetramethyl-. trans-1,2-di-tert-butylethylene. 3-Butenyl, 2-methyl-. 1-Butene, 3-methyl-. 2-Pentene, 4,4-dimethyl-, (E)-. cis-1,1,1-Trimethyl-2-butene. 2-Pentene, 4,4-dimethyl-, (Z)-. 2-Pentene, 4,4-dimethyl-. 3-Methyl-3-chloro-1-butene. 3-Hexen-1-yne, 5,5-dimethyl-, (Z)-. (E)-5,5-Dimethyl-3-hexen-1-yne.

Find more compounds similar to 1-Butene, 3,3-dimethyl-.

Sources

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

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