Chemical Properties of 2,3,3-trimethyl-1-hexene (CAS 700000-97-1)

2,3,3-trimethyl-1-hexene

InChI
InChI=1S/C9H18/c1-6-7-9(4,5)8(2)3/h2,6-7H2,1,3-5H3
InChI Key
FJJUXGUOHOVYPK-UHFFFAOYSA-N
Formula
C9H18
SMILES
C=C(C)C(C)(C)CCC
Molecular Weight1
126.24
CAS
700000-97-1
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Physical Properties

Property Value Unit Source
ω 0.2690 Relay (1.0) Calculated Property
ΔfG° 107.03 kJ/mol Joback Calculated Property
ΔfH°gas -126.98 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 9.06 kJ/mol Joback Calculated Property
ΔvapH° 41.58 kJ/mol Relay (1.0) Calculated Property
IE 8.95 eV Relay (1.0) Calculated Property
log10WS -4.52 Relay (1.0) Calculated Property
logPoct/wat 3.389 Crippen Calculated Property
McVol 133.370 ml/mol McGowan Calculated Property
Pc 2460.47 kPa Joback Calculated Property
Tboil 404.90 ± 0.60 K NIST
Tc 586.75 K Relay (1.0) Calculated Property
Tfus 173.60 ± 2.00 K NIST
Vc 0.483 m3/kmol Relay (1.0) Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [185.29; 456.33] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-3.24480e+01
Coefficient B9.64580e-01
Coefficient C-6.62800e-04
Coefficient D1.87000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 185.29 J/mol×K 273.00 Calculated Property
Cp,gas 234.12 J/mol×K 353.78 Calculated Property
Cp,gas 276.90 J/mol×K 434.56 Calculated Property
Cp,gas 314.21 J/mol×K 515.33 Calculated Property
Cp,gas 346.64 J/mol×K 596.11 Calculated Property
Cp,gas 374.78 J/mol×K 676.89 Calculated Property
Cp,gas 399.23 J/mol×K 757.67 Calculated Property
Cp,gas 420.58 J/mol×K 838.44 Calculated Property
Cp,gas 439.42 J/mol×K 919.22 Calculated Property
Cp,gas 456.33 J/mol×K 1000.00 Calculated Property

Similar Compounds

(Z)-2-Pentene, 3,4,4-trimethyl. 1-Pentene, 2,3,3-trimethyl-. 2-(1-adamantyl)propene. Spiro[4.4]nonane, 1-methylene-. 1,4-Methano-1H-indene, octahydro-1,7a-dimethyl-4-(1-methylethenyl)-, [1S-(1«alpha»,3a«beta»,4«alpha»,7a«beta»)]-. 2,3-Dimethyl-1-hexene. 2,5,5-trimethyl-1-methylenecycloheptane. 2,3-Dimethyl-1-heptene. «alpha»-11-Eudesmene. [3.3.3]Propellane, 2-methylene-. Cyclohexene, 1,6,6-trimethyl-. «beta»-Isocomene. Pethybrene. (1R,3aS,5aS,8aR)-1,3a,5a-Trimethyl-4-methylenedecahydrocyclopenta[c]pentalene. Seychellene.

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

Sources

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