Chemical Properties of Heptane, 4,4-dimethyl- (CAS 1068-19-5)

Heptane, 4,4-dimethyl-

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InChI
InChI=1S/C9H20/c1-5-7-9(3,4)8-6-2/h5-8H2,1-4H3
InChI Key
WSOKFYJGNBQDPW-UHFFFAOYSA-N
Formula
C9H20
SMILES
CCCC(C)(C)CCC
Molecular Weight1
128.26
CAS
1068-19-5
Other Names
  • 4,4-Dimethylheptane
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Physical Properties

Property Value Unit Source
ω 0.3640 KDB
Δf 27.74 kJ/mol Joback Calculated Property
Δc,grossH 6116.59 kJ/mol KDB
Δc,netH 5676.475 kJ/mol KDB
Δfgas -237.84 kJ/mol Joback Calculated Property
Δfus 11.65 kJ/mol Joback Calculated Property
Δvap 42.20 kJ/mol NIST
log10WS -3.35 Crippen Calculated Property
logPoct/wat 3.613 Crippen Calculated Property
McVol 137.670 ml/mol McGowan Calculated Property
Pc 2430.00 kPa KDB
Inp [815.00; 839.00]   Show Hide
Inp 829.00 NIST
Inp 825.00 NIST
Inp 826.40 NIST
Inp 826.50 NIST
Inp 826.40 NIST
Inp 829.30 NIST
Inp 829.50 NIST
Inp 828.60 NIST
Inp 828.80 NIST
Inp 826.00 NIST
Inp 826.00 NIST
Inp 826.00 NIST
Inp 827.00 NIST
Inp 827.00 NIST
Inp 827.60 NIST
Inp 829.00 NIST
Inp 827.00 NIST
Inp 825.00 NIST
Inp 828.00 NIST
Inp 830.00 NIST
Inp 823.00 NIST
Inp 825.00 NIST
Inp Outlier 815.00 NIST
Inp Outlier 839.00 NIST
Inp 823.78 NIST
Inp 823.80 NIST
Inp 823.00 NIST
Inp 832.00 NIST
Inp 826.00 NIST
Inp 829.00 NIST
Inp 829.00 NIST
Inp 829.00 NIST
Inp Outlier 837.00 NIST
Inp 823.00 NIST
Inp 829.00 NIST
Inp 823.00 NIST
Inp Outlier 815.00 NIST
Inp 832.00 NIST
Inp 826.00 NIST
Inp 823.78 NIST
Tboil [407.50; 408.40] K Show Hide
Tboil 408.40 K KDB
Tboil 408.40 K NIST
Tboil 407.50 ± 0.50 K NIST
Tboil 408.35 ± 0.50 K NIST
Tc 585.40 K KDB
Tfus 170.00 K KDB
Vc 0.501 m3/kmol KDB
Zc 0.2501240 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [273.99; 357.75] J/mol×K [402.09; 575.56] Show Hide
Cp,gas 273.99 J/mol×K 402.09 Joback Calculated Property
Cp,gas 289.63 J/mol×K 431.00 Joback Calculated Property
Cp,gas 304.56 J/mol×K 459.91 Joback Calculated Property
Cp,gas 318.82 J/mol×K 488.82 Joback Calculated Property
Cp,gas 332.42 J/mol×K 517.74 Joback Calculated Property
Cp,gas 345.39 J/mol×K 546.65 Joback Calculated Property
Cp,gas 357.75 J/mol×K 575.56 Joback Calculated Property
η [0.0002652; 0.0112198] Pa×s [193.61; 402.09] Show Hide
η 0.0112198 Pa×s 193.61 Joback Calculated Property
η 0.0037384 Pa×s 228.36 Joback Calculated Property
η 0.0016651 Pa×s 263.10 Joback Calculated Property
η 0.0008957 Pa×s 297.85 Joback Calculated Property
η 0.0005485 Pa×s 332.60 Joback Calculated Property
η 0.0003685 Pa×s 367.34 Joback Calculated Property
η 0.0002652 Pa×s 402.09 Joback Calculated Property
ΔvapH 35.35 kJ/mol 408.40 KDB
n0 1.40530 298.15 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [297.64; 436.14] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.41660e+01
Coefficient B-3.38767e+03
Coefficient C-5.35430e+01
Temperature range, min.297.64
Temperature range, max.436.14
Pvap 1.33 kPa 297.64 Calculated Property
Pvap 3.04 kPa 313.03 Calculated Property
Pvap 6.31 kPa 328.42 Calculated Property
Pvap 12.12 kPa 343.81 Calculated Property
Pvap 21.81 kPa 359.20 Calculated Property
Pvap 37.11 kPa 374.58 Calculated Property
Pvap 60.13 kPa 389.97 Calculated Property
Pvap 93.41 kPa 405.36 Calculated Property
Pvap 139.84 kPa 420.75 Calculated Property
Pvap 202.67 kPa 436.14 Calculated Property
Pvap [1.30; 2433.71] kPa [297.15; 585.40] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A9.30825e+01
Coefficient B-8.12939e+03
Coefficient C-1.16151e+01
Coefficient D7.63511e-06
Temperature range, min.297.15
Temperature range, max.585.40
Pvap 1.30 kPa 297.15 Calculated Property
Pvap 6.59 kPa 329.18 Calculated Property
Pvap 23.71 kPa 361.21 Calculated Property
Pvap 66.46 kPa 393.23 Calculated Property
Pvap 155.12 kPa 425.26 Calculated Property
Pvap 315.93 kPa 457.29 Calculated Property
Pvap 580.74 kPa 489.32 Calculated Property
Pvap 987.99 kPa 521.34 Calculated Property
Pvap 1585.22 kPa 553.37 Calculated Property
Pvap 2433.71 kPa 585.40 Calculated Property

Similar Compounds

4-Methyl-4-propylheptane. 4,4-Dimethyl octane. Heptane, 4-ethyl-4-methyl-. Heptane, 3,3-dimethyl-. Undecane, 6,6-dimethyl-. Undecane, 5,5-dimethyl-. Undecane, 4,4-dimethyl-. Undecane, 3,3-dimethyl-. 3,3-Dimethyltridecane. Octane, 3,3-dimethyl-. 3,3-Dimethylnonadecane. 3,3-Dimethylheptadecane. Nonane, 3,3-dimethyl. 3,3-Dimethylpentadecane. 3,3-Dimethylhenicosane.

Find more compounds similar to Heptane, 4,4-dimethyl-.

Sources

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