Chemical Properties of Pentane, 2,3,3-trimethyl- (CAS 560-21-4)

Pentane, 2,3,3-trimethyl-

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InChI
InChI=1S/C8H18/c1-6-8(4,5)7(2)3/h7H,6H2,1-5H3
InChI Key
OKVWYBALHQFVFP-UHFFFAOYSA-N
Formula
C8H18
SMILES
CCC(C)(C)C(C)C
Molecular Weight1
114.23
CAS
560-21-4
Other Names
  • 2,3,3-Trimethylpentane
  • C2H5C(CH3)2CH(CH3)2
Sources

Physical Properties

Property Value Unit Source
Δcliquid -5467.00 ± 1.30 kJ/mol NIST
Δf 16.88 kJ/mol Joback Calculated Property
Δfgas -216.40 ± 1.40 kJ/mol NIST
Δfliquid -253.70 ± 1.40 kJ/mol NIST
Δfus 5.54 kJ/mol Joback Calculated Property
Δvap [36.90; 37.70] kJ/mol Show Hide
Δvap 37.33 kJ/mol NIST
Δvap 37.70 ± 0.10 kJ/mol NIST
Δvap 37.60 ± 0.10 kJ/mol NIST
Δvap 36.90 kJ/mol NIST
Δvap 37.20 kJ/mol NIST
Δvap 36.90 ± 0.10 kJ/mol NIST
Δvap 36.90 ± 0.10 kJ/mol NIST
Δvap 37.20 ± 0.10 kJ/mol NIST
Δvap 37.21 kJ/mol NIST
logPoct/wat 3.08 Crippen Calculated Property
Pc 2820.00 ± 40.00 kPa NIST
Pc 2820.20 ± 40.53 kPa NIST
Tboil [383.95; 390.45] K Show Hide
Tboil 387.90 K NIST
Tboil 387.90 K NIST
Tboil 387.94 ± 0.10 K NIST
Tboil 387.91 ± 0.20 K NIST
Tboil 387.40 ± 2.00 K NIST
Tboil 387.40 ± 0.40 K NIST
Tboil 387.85 ± 0.30 K NIST
Tboil Outlier 390.45 ± 0.50 K NIST
Tboil 387.65 ± 0.30 K NIST
Tboil 387.75 ± 0.30 K NIST
Tboil 387.85 ± 0.30 K NIST
Tboil 387.91 ± 0.10 K NIST
Tboil 387.85 ± 0.50 K NIST
Tboil 387.91 ± 0.02 K NIST
Tboil 388.05 ± 0.20 K NIST
Tboil 386.00 ± 2.00 K NIST
Tboil 388.05 ± 0.20 K NIST
Tboil 387.91 ± 0.05 K NIST
Tboil 387.85 ± 0.30 K NIST
Tboil 387.80 ± 0.50 K NIST
Tboil Outlier 383.95 ± 0.60 K NIST
Tc 573.50 ± 0.50 K NIST
Tc 573.49 ± 0.40 K NIST
Tfus [170.15; 172.45] K Show Hide
Tfus 171.73 ± 0.20 K NIST
Tfus 172.17 ± 0.05 K NIST
Tfus 172.18 ± 0.04 K NIST
Tfus 172.19 ± 0.02 K NIST
Tfus 170.75 ± 1.00 K NIST
Tfus 171.55 ± 0.15 K NIST
Tfus Outlier 170.15 ± 1.00 K NIST
Tfus 170.75 ± 0.50 K NIST
Tfus 171.49 ± 0.02 K NIST
Tfus 171.80 ± 0.15 K NIST
Tfus 172.45 ± 0.10 K NIST
Tfus 172.11 ± 0.12 K NIST
Tfus 171.45 ± 0.10 K NIST
Tfus 170.75 ± 0.50 K NIST
Vc 0.46 m3/kg-mol NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 233.00 J/mol×K 378.77 Joback Calculated Property
Cp,liquid 245.56 J/mol×K 298.15 NIST
η 0.00 Pa×s 378.77 Joback Calculated Property
ΔvapH [32.12; 37.10] kJ/mol [308.00; 387.90] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 37.10 ± 0.10 kJ/mol 308.0 NIST
ΔvapH 36.90 ± 0.10 kJ/mol 308.0 NIST
ΔvapH 36.60 ± 0.10 kJ/mol 315.0 NIST
ΔvapH 36.50 ± 0.10 kJ/mol 315.0 NIST
ΔvapH 36.00 ± 0.10 kJ/mol 323.0 NIST
ΔvapH 36.00 ± 0.10 kJ/mol 323.0 NIST
ΔvapH 35.50 ± 0.10 kJ/mol 330.0 NIST
ΔvapH 35.50 ± 0.10 kJ/mol 330.0 NIST
ΔvapH 35.10 ± 0.10 kJ/mol 338.0 NIST
ΔvapH 35.10 ± 0.10 kJ/mol 338.0 NIST
ΔvapH 36.10 kJ/mol 345.0 NIST
ΔvapH 34.80 ± 0.10 kJ/mol 348.0 NIST
ΔvapH 34.40 ± 0.10 kJ/mol 348.0 NIST
ΔvapH 36.40 kJ/mol 349.0 NIST
ΔvapH 34.10 ± 0.10 kJ/mol 358.0 NIST
ΔvapH 33.90 ± 0.10 kJ/mol 358.0 NIST
ΔvapH 33.50 ± 0.10 kJ/mol 368.0 NIST
ΔvapH 33.30 ± 0.10 kJ/mol 368.0 NIST
ΔvapH 32.12 kJ/mol 387.9 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CH2- 1
-CH3 5
>C< 1

Similar Compounds

Pentane, 2,3,3,4-tetramethyl-. Pentane, 3,3-diethyl-2-methyl-. Pentane, 3-ethyl-2,3-dimethyl-. Pentane, 2,2,3,3-tetramethyl-. Pentane, 2,2,3-trimethyl-. Hexane, 2,3,3-trimethyl-. Pentane, 3-ethyl-2,3,4-trimethyl-. Hexane, 3,3,4-trimethyl-. Hexane, 3,3,4,4-tetramethyl-. Pentane, 2,2,3,3,4-pentamethyl-. Pentane, 3-ethyl-2,2,3-trimethyl-. Pentane, 3-ethyl-2,2-dimethyl-. Hexane, 3-ethyl-4,4-dimethyl. Pentane, 3,3-dimethyl-. Pentane, 2,3-dimethyl-.

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