Chemical Properties of Hexane, 2,2,5-trimethyl- (CAS 3522-94-9)

Hexane, 2,2,5-trimethyl-

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InChI
InChI=1S/C9H20/c1-8(2)6-7-9(3,4)5/h8H,6-7H2,1-5H3
InChI Key
HHOSMYBYIHNXNO-UHFFFAOYSA-N
Formula
C9H20
SMILES
CC(C)CCC(C)(C)C
Molecular Weight1
128.26
CAS
3522-94-9
Other Names
  • 2,2,5-Trimethylhexane

Physical Properties

Property Value Unit Source
ω 0.3570 KDB
AP 355.850 K KDB
Δcliquid -6106.55 ± 0.84 kJ/mol NIST
Δf 13.44 kJ/mol KDB
Δc,grossH 6106.55 kJ/mol KDB
Δc,netH 5666.434 kJ/mol KDB
Δfgas [-254.20; -253.10] kJ/mol Show Hide
Δfgas -254.20 kJ/mol KDB
Δfgas -253.10 kJ/mol NIST
Δfliquid -293.30 ± 1.00 kJ/mol NIST
Δfus 8.13 kJ/mol Joback Calculated Property
Δvap [40.17; 40.21] kJ/mol Show Hide
Δvap 40.21 kJ/mol NIST
Δvap 40.20 kJ/mol NIST
Δvap 40.20 kJ/mol NIST
Δvap 40.17 kJ/mol NIST
log10WS [-5.05; -5.05]   Show Hide
log10WS -5.05 Aq. Sol...
log10WS -5.05 Estimat...
logPoct/wat 3.469 Crippen Calculated Property
McVol 137.670 ml/mol McGowan Calculated Property
NFPA Fire 3 KDB
NFPA Health 2 KDB
Pc 2330.00 kPa KDB
Inp [766.00; 797.06]   Show Hide
Inp 791.00 NIST
Inp 787.50 NIST
Inp Outlier 792.50 NIST
Inp 775.00 NIST
Inp 778.00 NIST
Inp 783.00 NIST
Inp 784.00 NIST
Inp 785.00 NIST
Inp 776.00 NIST
Inp 777.10 NIST
Inp 782.00 NIST
Inp 783.00 NIST
Inp 784.00 NIST
Inp 784.00 NIST
Inp 784.00 NIST
Inp 785.00 NIST
Inp 785.10 NIST
Inp 785.00 NIST
Inp 784.00 NIST
Inp 784.00 NIST
Inp 786.00 NIST
Inp 784.00 NIST
Inp 784.00 NIST
Inp 784.80 NIST
Inp 785.30 NIST
Inp 785.50 NIST
Inp 786.10 NIST
Inp 786.70 NIST
Inp 787.20 NIST
Inp 784.70 NIST
Inp 784.40 NIST
Inp 784.30 NIST
Inp 784.10 NIST
Inp 783.90 NIST
Inp 783.60 NIST
Inp 777.40 NIST
Inp 777.00 NIST
Inp 777.30 NIST
Inp 774.90 NIST
Inp 776.00 NIST
Inp 778.00 NIST
Inp 784.00 NIST
Inp 785.00 NIST
Inp 776.70 NIST
Inp 786.00 NIST
Inp 779.00 NIST
Inp 783.00 NIST
Inp 778.00 NIST
Inp 777.00 NIST
Inp 775.00 NIST
Inp 776.50 NIST
Inp 775.00 NIST
Inp 777.00 NIST
Inp 778.00 NIST
Inp 779.00 NIST
Inp 775.00 NIST
Inp 777.00 NIST
Inp 778.00 NIST
Inp 781.00 NIST
Inp Outlier 766.00 NIST
Inp 782.90 NIST
Inp 786.00 NIST
Inp 777.00 NIST
Inp 789.00 NIST
Inp 787.10 NIST
Inp 780.10 NIST
Inp 785.50 NIST
Inp 782.21 NIST
Inp 783.56 NIST
Inp 784.00 NIST
Inp 783.00 NIST
Inp 786.60 NIST
Inp 783.30 NIST
Inp 784.80 NIST
Inp 782.00 NIST
Inp Outlier 797.06 NIST
Inp 786.00 NIST
Inp 776.00 NIST
Inp 784.00 NIST
Inp 785.00 NIST
Inp 773.00 NIST
Inp 785.00 NIST
Inp 783.00 NIST
Inp 784.00 NIST
Inp 785.00 NIST
Inp 776.00 NIST
Inp 777.00 NIST
Inp 791.00 NIST
Inp 786.00 NIST
Inp 782.00 NIST
Inp 773.00 NIST
Inp 781.00 NIST
Inp 786.00 NIST
Inp Outlier 795.00 NIST
Inp 785.00 NIST
Tboil [394.65; 397.30] K Show Hide
Tboil 397.24 K KDB
Tboil 397.30 K NIST
Tboil 397.20 K NIST
Tboil Outlier 394.65 ± 1.50 K NIST
Tboil 397.25 ± 0.40 K NIST
Tboil 396.15 ± 2.00 K NIST
Tboil 395.65 ± 2.00 K NIST
Tboil 395.65 ± 3.00 K NIST
Tboil 397.23 ± 0.03 K NIST
Tboil 396.40 ± 0.60 K NIST
Tboil 397.25 ± 0.50 K NIST
Tboil 397.24 ± 0.10 K NIST
Tboil 397.21 ± 0.20 K NIST
Tboil 397.21 ± 0.20 K NIST
Tboil 397.15 ± 0.20 K NIST
Tboil 397.24 ± 0.20 K NIST
Tboil 396.15 ± 1.00 K NIST
Tboil 396.15 ± 1.00 K NIST
Tboil 397.24 ± 0.40 K NIST
Tboil 395.15 ± 1.50 K NIST
Tc [569.80; 569.90] K Show Hide
Tc 569.80 K KDB
Tc 569.80 ± 2.00 K NIST
Tc 569.90 ± 2.00 K NIST
Tfus [167.30; 167.39] K Show Hide
Tfus 167.39 K KDB
Tfus 167.30 K Aq. Sol...
Vc 0.519 m3/kmol KDB
Zc 0.2552490 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [273.89; 359.82] J/mol×K [401.65; 579.13] Show Hide
Cp,gas 273.89 J/mol×K 401.65 Joback Calculated Property
Cp,gas 289.98 J/mol×K 431.23 Joback Calculated Property
Cp,gas 305.33 J/mol×K 460.81 Joback Calculated Property
Cp,gas 319.96 J/mol×K 490.39 Joback Calculated Property
Cp,gas 333.90 J/mol×K 519.97 Joback Calculated Property
Cp,gas 347.18 J/mol×K 549.55 Joback Calculated Property
Cp,gas 359.82 J/mol×K 579.13 Joback Calculated Property
η [0.0002558; 0.0222427] Pa×s [178.61; 401.65] Show Hide
η 0.0222427 Pa×s 178.61 Joback Calculated Property
η 0.0055664 Pa×s 215.78 Joback Calculated Property
η 0.0020930 Pa×s 252.96 Joback Calculated Property
η 0.0010112 Pa×s 290.13 Joback Calculated Property
η 0.0005763 Pa×s 327.30 Joback Calculated Property
η 0.0003684 Pa×s 364.48 Joback Calculated Property
η 0.0002558 Pa×s 401.65 Joback Calculated Property
ΔvapH [33.65; 41.10] kJ/mol [270.50; 397.20] Show Hide
ΔvapH 41.10 kJ/mol 270.50 NIST
ΔvapH 40.10 kJ/mol 343.50 NIST
ΔvapH 38.50 kJ/mol 358.50 NIST
ΔvapH 33.77 kJ/mol 397.20 KDB
ΔvapH 33.65 kJ/mol 397.20 NIST
n0 1.39728 298.15 KDB
ρl 717.00 kg/m3 289.00 KDB
γ 0.02 N/m 298.20 KDB

Similar Compounds

Heptane, 2,2,6-trimethyl-. Heptane, 2,2,5-trimethyl-. Heptane, 2,5,5-trimethyl-. 1,1,4-Trimethylcyclohexane. Octane, 2,2,6-trimethyl-. Decane, 2,2,8-trimethyl-. Humulane. Hexane, 2,5-dimethyl-. Hexane, 2,2,4-trimethyl-. Octane, 2,6,6-trimethyl-. Hexane, 2-methyl-. Tridecane, 2,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethylhexyl)-. Octadecane, 2,2,4,15,17,17-hexamethyl-7,12-bis(3,5,5-trimethylhexyl)-. Hexane, 2,2-dimethyl-. Heptane, 2,2,4-trimethyl-.

Find more compounds similar to Hexane, 2,2,5-trimethyl-.

Sources

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