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
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Physical Properties

Property Value Unit Source
ω 0.1920 KDB
AP 308.350 K KDB
Δcliquid -4637.70 ± 1.20 kJ/mol NIST
Δf 90.19 kJ/mol Joback Calculated Property
Δc,grossH 4637.67 kJ/mol KDB
Δc,netH 4329.604 kJ/mol KDB
Δfgas -86.54 kJ/mol KDB
Δfus 3.88 kJ/mol Joback Calculated Property
Δvap [32.10; 34.30] kJ/mol Show Hide
Δvap 34.30 kJ/mol NIST
Δvap 32.10 kJ/mol NIST
IE 9.02 ± 0.01 eV NIST
log10WS -2.36 Crippen Calculated Property
logPoct/wat 2.609 Crippen Calculated Property
McVol 105.190 ml/mol McGowan Calculated Property
Pc 2890.00 kPa KDB
Inp [621.00; 643.00]   Show Hide
Inp 633.30 NIST
Inp 626.00 NIST
Inp 626.00 NIST
Inp 638.00 NIST
Inp 640.00 NIST
Inp Outlier 643.00 NIST
Inp 639.10 NIST
Inp 641.40 NIST
Inp 628.60 NIST
Inp 630.90 NIST
Inp 634.00 NIST
Inp 634.00 NIST
Inp 632.00 NIST
Inp 628.00 NIST
Inp 631.00 NIST
Inp 629.00 NIST
Inp 626.00 NIST
Inp 629.00 NIST
Inp 631.00 NIST
Inp 633.00 NIST
Inp Outlier 621.00 NIST
Inp 631.65 NIST
Inp 636.20 NIST
Inp 627.00 NIST
Inp 627.10 NIST
Inp 628.00 NIST
Inp 630.00 NIST
Inp 632.00 NIST
Inp 630.00 NIST
Inp 631.00 NIST
Inp 637.00 NIST
Inp 636.00 NIST
Inp 636.00 NIST
Inp 633.00 NIST
Inp 632.00 NIST
Inp 634.00 NIST
Inp 631.65 NIST
Inp 633.30 NIST
Inp Outlier 643.00 NIST
Inp 634.00 NIST
Inp 629.00 NIST
Inp Outlier 621.00 NIST
Inp 633.00 NIST
Tboil 351.00 K KDB
Tc 533.00 K KDB
Tfus [153.25; 163.30] K Show Hide
Tfus 163.30 K KDB
Tfus 163.15 ± 0.06 K NIST
Tfus 161.30 ± 0.50 K NIST
Tfus 161.25 ± 0.50 K NIST
Tfus Outlier 153.25 ± 0.30 K NIST
Tfus 161.75 ± 0.10 K NIST
Vc 0.400 m3/kmol KDB
Zc 0.2608520 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [180.89; 250.18] J/mol×K [352.89; 534.95] Show Hide
Cp,gas 180.89 J/mol×K 352.89 Joback Calculated Property
Cp,gas 194.04 J/mol×K 383.23 Joback Calculated Property
Cp,gas 206.50 J/mol×K 413.58 Joback Calculated Property
Cp,gas 218.32 J/mol×K 443.92 Joback Calculated Property
Cp,gas 229.52 J/mol×K 474.26 Joback Calculated Property
Cp,gas 240.13 J/mol×K 504.60 Joback Calculated Property
Cp,gas 250.18 J/mol×K 534.95 Joback Calculated Property
ΔvapH [32.10; 32.40] kJ/mol [319.50; 320.50] Show Hide
ΔvapH 32.10 kJ/mol 319.50 NIST
ΔvapH 32.40 kJ/mol 320.50 NIST
n0 1.40007 298.15 KDB
ρl 705.00 kg/m3 293.00 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [252.62; 375.85] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.40003e+01
Coefficient B-2.92266e+03
Coefficient C-3.94820e+01
Temperature range, min.252.62
Temperature range, max.375.85
Pvap 1.33 kPa 252.62 Calculated Property
Pvap 3.05 kPa 266.31 Calculated Property
Pvap 6.35 kPa 280.00 Calculated Property
Pvap 12.23 kPa 293.70 Calculated Property
Pvap 22.00 kPa 307.39 Calculated Property
Pvap 37.39 kPa 321.08 Calculated Property
Pvap 60.51 kPa 334.77 Calculated Property
Pvap 93.82 kPa 348.47 Calculated Property
Pvap 140.16 kPa 362.16 Calculated Property
Pvap 202.64 kPa 375.85 Calculated Property
Pvap [6.77e-05; 3140.15] kPa [163.30; 531.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.69686e+01
Coefficient B-6.31675e+03
Coefficient C-9.43880e+00
Coefficient D7.82230e-06
Temperature range, min.163.30
Temperature range, max.531.00
Pvap 6.77e-05 kPa 163.30 Calculated Property
Pvap 0.02 kPa 204.16 Calculated Property
Pvap 0.76 kPa 245.01 Calculated Property
Pvap 8.41 kPa 285.87 Calculated Property
Pvap 45.96 kPa 326.72 Calculated Property
Pvap 161.80 kPa 367.58 Calculated Property
Pvap 427.75 kPa 408.43 Calculated Property
Pvap 933.70 kPa 449.29 Calculated Property
Pvap 1789.68 kPa 490.14 Calculated Property
Pvap 3140.15 kPa 531.00 Calculated Property

Similar Compounds

2-Pentene, 3,4,4-trimethyl-. Z-3,4,4-Trimethyl-2-pentene. (E)-3,4,4-Trimethylpent-2-ene. 1,4-Pentadiene, 2,3,3-trimethyl-. 2-Ethyl-3,3-dimethylbut-1-ene. 1-Butene, 2,3-dimethyl-. (Z) 2,3-Di-tert-butyl-2-butene. Cyclopropane, 1,1-dimethyl-2-methylene-. 1-Pentene, 2,3,3-trimethyl-. 1,3,3-Trimethylcyclopropene. Cyclopropane, tetramethylmethylene-. Cyclopropane, 1-methyl-1-isopropenyl-. 3-Buten-2-ol, 2,3-dimethyl-. 3-Heptene, 2,2,3,5,5,6,6-heptamethyl-. 2,3,3-Trimethyl-1-hexene.

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

Sources

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