Chemical Properties of Hexane, 3,3-dimethyl- (CAS 563-16-6)

Hexane, 3,3-dimethyl-

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InChI
InChI=1S/C8H18/c1-5-7-8(3,4)6-2/h5-7H2,1-4H3
InChI Key
KUMXLFIBWFCMOJ-UHFFFAOYSA-N
Formula
C8H18
SMILES
CCCC(C)(C)CC
Molecular Weight1
114.23
CAS
563-16-6
Other Names
  • 3,3-Dimethylhexane

Physical Properties

Property Value Unit Source
ω 0.3200 KDB
AP 345.150 K KDB
Δcliquid -5462.97 ± 0.96 kJ/mol NIST
Δf 13.27 kJ/mol KDB
Δc,grossH 5462.97 kJ/mol KDB
Δc,netH 5066.824 kJ/mol KDB
Δfgas [-220.30; -220.10] kJ/mol Show Hide
Δfgas -220.30 kJ/mol KDB
Δfgas -220.10 ± 1.10 kJ/mol NIST
Δfliquid -257.70 ± 1.10 kJ/mol NIST
Δfus 9.06 kJ/mol Joback Calculated Property
Δvap [37.50; 37.60] kJ/mol Show Hide
Δvap 37.60 kJ/mol NIST
Δvap 37.50 ± 0.10 kJ/mol NIST
Δvap 37.53 kJ/mol NIST
log10WS -2.93 Crippen Calculated Property
logPoct/wat 3.223 Crippen Calculated Property
McVol 123.580 ml/mol McGowan Calculated Property
Pc [2650.00; 2653.40] kPa Show Hide
Pc 2650.00 kPa KDB
Pc 2650.00 ± 40.00 kPa NIST
Pc 2653.40 ± 40.53 kPa NIST
ρc [258.16; 258.16] kg/m3 Show Hide
ρc 258.16 ± 4.57 kg/m3 NIST
ρc 258.16 ± 4.57 kg/m3 NIST
Inp [735.00; 751.28]   Show Hide
Inp 738.60 NIST
Inp 741.10 NIST
Inp 737.00 NIST
Inp 737.00 NIST
Inp 747.60 NIST
Inp 740.00 NIST
Inp 742.90 NIST
Inp 742.80 NIST
Inp 743.00 NIST
Inp 743.00 NIST
Inp 743.00 NIST
Inp 743.00 NIST
Inp 741.20 NIST
Inp 744.00 NIST
Inp 739.00 NIST
Inp 741.00 NIST
Inp 743.00 NIST
Inp 743.10 NIST
Inp 745.20 NIST
Inp 743.00 NIST
Inp 744.00 NIST
Inp 745.00 NIST
Inp 740.40 NIST
Inp 741.20 NIST
Inp 741.80 NIST
Inp 742.90 NIST
Inp 738.00 NIST
Inp 739.00 NIST
Inp 740.00 NIST
Inp 741.00 NIST
Inp 742.00 NIST
Inp 743.00 NIST
Inp 742.90 NIST
Inp 743.00 NIST
Inp 743.30 NIST
Inp 746.00 NIST
Inp 746.00 NIST
Inp 747.40 NIST
Inp 748.70 NIST
Inp 745.00 NIST
Inp 744.00 NIST
Inp 746.00 NIST
Inp 747.60 NIST
Inp Outlier 749.57 NIST
Inp Outlier 751.28 NIST
Inp 744.29 NIST
Inp 745.86 NIST
Inp 742.00 NIST
Inp 743.00 NIST
Inp 739.00 NIST
Inp 741.00 NIST
Inp 742.00 NIST
Inp 743.00 NIST
Inp 744.00 NIST
Inp 743.70 NIST
Inp 746.00 NIST
Inp 740.00 NIST
Inp 747.00 NIST
Inp 742.00 NIST
Inp 740.00 NIST
Inp 744.00 NIST
Inp 746.00 NIST
Inp 748.00 NIST
Inp 741.00 NIST
Inp 743.50 NIST
Inp 741.00 NIST
Inp 744.00 NIST
Inp 746.00 NIST
Inp 742.00 NIST
Inp 744.00 NIST
Inp 746.00 NIST
Inp Outlier 735.00 NIST
Inp 742.00 NIST
Inp 738.30 NIST
Inp 741.60 NIST
Inp Outlier 735.27 NIST
Inp 735.71 NIST
Inp 739.20 NIST
Inp 736.36 NIST
Inp 736.45 NIST
Inp 743.00 NIST
Inp Outlier 735.00 NIST
Inp 739.00 NIST
Inp 740.00 NIST
Inp 744.00 NIST
Inp 741.00 NIST
Inp 743.00 NIST
Inp Outlier 750.00 NIST
Inp 746.00 NIST
Inp 736.00 NIST
Inp 742.00 NIST
Inp 743.00 NIST
Inp 748.00 NIST
Inp 744.00 NIST
Inp 745.00 NIST
Inp 739.00 NIST
Inp 738.00 NIST
Inp 737.00 NIST
Inp 740.00 NIST
Inp 741.00 NIST
Inp 748.00 NIST
Inp 737.00 NIST
Inp 741.60 NIST
Inp 736.45 NIST
Inp Outlier 735.00 NIST
Inp 742.00 NIST
Inp 740.00 NIST
Inp 746.00 NIST
Inp 738.30 NIST
Inp 738.60 NIST
Inp 743.00 NIST
Inp 741.00 NIST
Inp 744.00 NIST
Inp 742.90 NIST
Inp 744.29 NIST
Inp 739.00 NIST
Tboil [384.10; 393.05] K Show Hide
Tboil 385.12 K KDB
Tboil 385.20 K NIST
Tboil 385.10 K NIST
Tboil 384.65 ± 0.60 K NIST
Tboil 385.13 ± 0.10 K NIST
Tboil 385.12 ± 0.20 K NIST
Tboil 385.00 ± 0.30 K NIST
Tboil 385.05 ± 0.30 K NIST
Tboil 385.35 ± 0.30 K NIST
Tboil 385.10 ± 0.15 K NIST
Tboil Outlier 393.05 ± 0.50 K NIST
Tboil 385.11 ± 0.01 K NIST
Tboil 385.35 ± 0.50 K NIST
Tboil 385.12 ± 0.10 K NIST
Tboil 385.05 ± 0.30 K NIST
Tboil 385.15 ± 0.50 K NIST
Tboil 385.20 ± 0.50 K NIST
Tboil 384.10 ± 0.60 K NIST
Tboil 384.65 ± 1.50 K NIST
Tc [561.95; 562.00] K Show Hide
Tc 562.00 K KDB
Tc 562.00 ± 0.50 K NIST
Tc 561.95 ± 0.40 K NIST
Tfus [146.97; 147.04] K Show Hide
Tfus 147.00 K KDB
Tfus 147.04 ± 0.03 K NIST
Tfus 147.04 ± 0.02 K NIST
Tfus 147.04 ± 0.02 K NIST
Tfus 146.98 ± 0.30 K NIST
Tfus 147.02 ± 0.01 K NIST
Tfus 146.99 ± 0.06 K NIST
Tfus 146.97 ± 0.10 K NIST
Vc [0.443; 0.443] m3/kmol Show Hide
Vc 0.443 m3/kmol KDB
Vc 0.443 m3/kmol NIST
Zc 0.2512330 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [233.16; 311.30] J/mol×K [379.21; 553.39] Show Hide
Cp,gas 233.16 J/mol×K 379.21 Joback Calculated Property
Cp,gas 247.76 J/mol×K 408.24 Joback Calculated Property
Cp,gas 261.70 J/mol×K 437.27 Joback Calculated Property
Cp,gas 275.00 J/mol×K 466.30 Joback Calculated Property
Cp,gas 287.68 J/mol×K 495.33 Joback Calculated Property
Cp,gas 299.78 J/mol×K 524.36 Joback Calculated Property
Cp,gas 311.30 J/mol×K 553.39 Joback Calculated Property
Cp,liquid 246.60 J/mol×K 298.15 NIST
η [0.0002773; 0.0113690] Pa×s [182.34; 379.21] Show Hide
η 0.0113690 Pa×s 182.34 Joback Calculated Property
η 0.0038192 Pa×s 215.15 Joback Calculated Property
η 0.0017124 Pa×s 247.96 Joback Calculated Property
η 0.0009261 Pa×s 280.77 Joback Calculated Property
η 0.0005696 Pa×s 313.59 Joback Calculated Property
η 0.0003841 Pa×s 346.40 Joback Calculated Property
η 0.0002773 Pa×s 379.21 Joback Calculated Property
ΔvapH [32.31; 41.20] kJ/mol [316.00; 385.10] Show Hide
ΔvapH 41.20 kJ/mol 316.00 NIST
ΔvapH 36.60 kJ/mol 347.00 NIST
ΔvapH 32.47 kJ/mol 385.10 KDB
ΔvapH 32.31 kJ/mol 385.10 NIST
n0 1.39782 298.15 KDB
ρl 710.00 kg/m3 293.00 KDB
γ 0.02 N/m 298.20 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [278.15; 411.87] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.42437e+01
Coefficient B-3.31817e+03
Coefficient C-4.03870e+01
Temperature range, min.278.15
Temperature range, max.411.87
Pvap 1.33 kPa 278.15 Calculated Property
Pvap 3.03 kPa 293.01 Calculated Property
Pvap 6.29 kPa 307.87 Calculated Property
Pvap 12.07 kPa 322.72 Calculated Property
Pvap 21.73 kPa 337.58 Calculated Property
Pvap 36.98 kPa 352.44 Calculated Property
Pvap 59.95 kPa 367.30 Calculated Property
Pvap 93.21 kPa 382.15 Calculated Property
Pvap 139.67 kPa 397.01 Calculated Property
Pvap 202.64 kPa 411.87 Calculated Property
Pvap [4.73e-08; 2649.11] kPa [147.05; 562.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A8.59858e+01
Coefficient B-7.31793e+03
Coefficient C-1.06713e+01
Coefficient D7.86020e-06
Temperature range, min.147.05
Temperature range, max.562.00
Pvap 4.73e-08 kPa 147.05 Calculated Property
Pvap 4.20e-04 kPa 193.16 Calculated Property
Pvap 0.07 kPa 239.26 Calculated Property
Pvap 1.91 kPa 285.37 Calculated Property
Pvap 17.14 kPa 331.47 Calculated Property
Pvap 81.79 kPa 377.58 Calculated Property
Pvap 263.54 kPa 423.68 Calculated Property
Pvap 659.05 kPa 469.79 Calculated Property
Pvap 1395.63 kPa 515.89 Calculated Property
Pvap 2649.11 kPa 562.00 Calculated Property

Similar Compounds

Hexane, 3-ethyl-3-methyl-. Heptane, 4,4-dimethyl-. Hexane, 3,3-diethyl-. Heptane, 4-ethyl-4-methyl-. Heptane, 3,3-dimethyl-. 4-Methyl-4-propylheptane. 3-Ethyl-3-methylheptane. 3,3-Dimethyltridecane. Octane, 3,3-dimethyl-. 3,3-Dimethylnonadecane. 3,3-Dimethyltricosane. 3,3-Dimethylpentadecane. 3,3-Dimethylpentacosane. Nonane, 3,3-dimethyl. Undecane, 3,3-dimethyl-.

Find more compounds similar to Hexane, 3,3-dimethyl-.

Sources

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

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