Chemical Properties of Pentane, 3-methyl- (CAS 96-14-0)

Pentane, 3-methyl-

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InChI
InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3
InChI Key
PFEOZHBOMNWTJB-UHFFFAOYSA-N
Formula
C6H14
SMILES
CCC(C)CC
Molecular Weight1
86.18
CAS
96-14-0
Other Names
  • (C2H5)2CHCH3
  • 3-Methylpentane
  • UN 1208
  • UN 2462
Sources

Physical Properties

Property Value Unit Source
Δcliquid -4159.90 ± 0.88 kJ/mol NIST
Δf -2.80 kJ/mol Joback Calculated Property
Δfgas -171.60 ± 0.96 kJ/mol NIST
Δfliquid -202.00 ± 0.96 kJ/mol NIST
Δfus 7.77 kJ/mol Joback Calculated Property
Δvap [30.19; 30.47] kJ/mol Show Hide
Δvap 30.47 kJ/mol NIST
Δvap 30.30 ± 0.10 kJ/mol NIST
Δvap 30.30 kJ/mol NIST
Δvap 30.19 ± 0.03 kJ/mol NIST
Δvap 30.30 ± 0.10 kJ/mol NIST
Δvap 30.27 kJ/mol NIST
IE 10.04 eV NIST
IE 9.82 eV NIST
IE 10.08 eV NIST
logPoct/wat 2.443 Crippen Calculated Property
Pc [3035.00; 3128.00] kPa Show Hide
Pc 3120.00 ± 20.00 kPa NIST
Pc 3124.42 ± 10.00 kPa NIST
Pc 3124.00 ± 3.00 kPa NIST
Pc 3128.00 ± 2.00 kPa NIST
Pc 3116.00 ± 30.40 kPa NIST
Pc Outlier 3035.00 ± 20.26 kPa NIST
gas 382.88 ± 0.67 J/mol×K NIST
liquid 292.50 J/mol×K NIST
Tboil [333.28; 337.15] K Show Hide
Tboil 336.50 K NIST
Tboil 336.40 K NIST
Tboil 337.00 ± 3.00 K NIST
Tboil 337.00 ± 2.00 K NIST
Tboil 335.90 ± 1.50 K NIST
Tboil 336.43 ± 0.20 K NIST
Tboil 336.00 ± 2.00 K NIST
Tboil 336.35 ± 0.50 K NIST
Tboil 336.45 ± 0.10 K NIST
Tboil 336.35 ± 0.30 K NIST
Tboil Outlier 335.15 ± 3.00 K NIST
Tboil Outlier 334.90 ± 0.50 K NIST
Tboil 336.15 ± 1.00 K NIST
Tboil 336.70 ± 0.30 K NIST
Tboil 336.50 ± 0.30 K NIST
Tboil 336.30 ± 0.30 K NIST
Tboil 336.35 ± 0.50 K NIST
Tboil 336.50 ± 0.50 K NIST
Tboil 336.30 ± 0.15 K NIST
Tboil 336.41 ± 0.05 K NIST
Tboil 336.43 ± 0.02 K NIST
Tboil 336.10 ± 0.10 K NIST
Tboil Outlier 333.28 ± 0.07 K NIST
Tboil 336.30 ± 0.30 K NIST
Tboil 336.15 ± 0.60 K NIST
Tboil 336.43 ± 0.05 K NIST
Tboil 336.50 ± 0.10 K NIST
Tboil 336.43 ± 0.02 K NIST
Tboil 336.45 ± 0.50 K NIST
Tboil 336.50 ± 0.50 K NIST
Tboil 336.44 ± 0.10 K NIST
Tboil 336.35 ± 0.50 K NIST
Tboil 336.35 ± 0.50 K NIST
Tboil 336.38 ± 0.20 K NIST
Tboil 336.55 ± 0.50 K NIST
Tboil 336.40 ± 0.30 K NIST
Tboil 336.35 ± 0.50 K NIST
Tboil 336.45 ± 0.30 K NIST
Tboil 336.41 ± 0.20 K NIST
Tboil 336.45 ± 0.20 K NIST
Tboil 336.35 ± 0.10 K NIST
Tboil 336.35 ± 0.50 K NIST
Tboil 336.36 ± 0.15 K NIST
Tboil 336.35 ± 0.50 K NIST
Tboil 336.33 ± 0.15 K NIST
Tboil 336.40 ± 0.70 K NIST
Tboil 336.45 ± 0.50 K NIST
Tboil 335.85 ± 0.60 K NIST
Tboil 335.85 ± 0.50 K NIST
Tboil 335.95 ± 0.60 K NIST
Tboil 336.45 ± 0.50 K NIST
Tboil 336.35 ± 0.50 K NIST
Tboil 336.35 ± 0.40 K NIST
Tboil 336.35 ± 0.40 K NIST
Tboil 336.35 ± 0.30 K NIST
Tboil 337.15 ± 1.50 K NIST
Tboil 337.00 ± 3.00 K NIST
Tc [498.10; 504.70] K Show Hide
Tc 504.60 ± 0.20 K NIST
Tc 504.40 K NIST
Tc 504.60 ± 0.20 K NIST
Tc 504.59 ± 0.20 K NIST
Tc 504.62 ± 0.15 K NIST
Tc 504.40 ± 0.30 K NIST
Tc 504.70 ± 0.20 K NIST
Tc Outlier 498.10 ± 0.20 K NIST
Tfus 155.15 ± 2.00 K NIST
Tfus 155.15 ± 1.00 K NIST
Ttriple 110.25 ± 0.01 K NIST
Vc 0.368 m3/kg-mol NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [154.31; 207.32] J/mol×K [332.10; 471.15] Show Hide
Plot of Ideal gas heat capacity.
Cp,gas 154.31 J/mol×K 332.1 NIST
Cp,gas 168.41 J/mol×K 367.55 NIST
Cp,gas 181.71 J/mol×K 402.35 NIST
Cp,gas 194.64 J/mol×K 436.2 NIST
Cp,gas 207.32 J/mol×K 471.15 NIST
Cp,liquid [186.80; 191.16] J/mol×K [288.19; 298.95] Show Hide
Plot of Liquid phase heat capacity.
Cp,liquid 187.10 J/mol×K 288.19 NIST
Cp,liquid 187.36 J/mol×K 298.1 NIST
Cp,liquid 191.16 J/mol×K 298.15 NIST
Cp,liquid 190.99 J/mol×K 298.15 NIST
Cp,liquid 190.86 J/mol×K 298.15 NIST
Cp,liquid 190.77 J/mol×K 298.15 NIST
Cp,liquid 190.77 J/mol×K 298.15 NIST
Cp,liquid 190.67 J/mol×K 298.15 NIST
Cp,liquid 186.80 J/mol×K 298.95 NIST
Cp,solid 190.83 J/mol×K 298.15 NIST
η 0.0002252 Pa×s 336.24 Joback Calculated Property
ΔfusH 5.31 kJ/mol 110.3 NIST
ΔfusH 5.31 kJ/mol 110.3 NIST
ΔvapH [27.00; 30.50] kJ/mol [303.00; 353.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 30.00 ± 0.10 kJ/mol 303.0 NIST
ΔvapH 30.00 ± 0.01 kJ/mol 303.1 NIST
ΔvapH 30.20 kJ/mol 312.5 NIST
ΔvapH 29.50 ± 0.10 kJ/mol 313.0 NIST
ΔvapH 30.50 kJ/mol 315.5 NIST
ΔvapH 28.80 ± 0.10 kJ/mol 324.0 NIST
ΔvapH 28.30 ± 0.10 kJ/mol 333.0 NIST
ΔvapH 28.10 ± 0.10 kJ/mol 336.0 NIST
ΔvapH 28.06 kJ/mol 336.4 NIST
ΔvapH 29.90 kJ/mol 338.5 NIST
ΔvapH 27.00 ± 0.10 kJ/mol 353.0 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CH2- 2
-CH3 3

Similar Compounds

Pentane, 3-ethyl-. Pentane, 2-methyl-. (S)-(+)-3-methylhexane. Hexane, 3-methyl-. 1,2-dimethylpropyl radical. Butane, 2-methyl-. 3-methylbutyl radical. Pentane, 3,3-dimethyl-. Pentane, 2,3-dimethyl-. Cyclobutane, ethyl-. Cyclopentane, methyl-. Cyclobutane, methyl-. Pentane, 2,4-dimethyl-. Cyclopropane, 1,2,3-trimethyl-. Hexane, 2-methyl-.

Find more compounds similar to Pentane, 3-methyl-.

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