Chemical Properties of Heptane, 3,3-dimethyl- (CAS 4032-86-4)

Heptane, 3,3-dimethyl-

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InChI
InChI=1S/C9H20/c1-5-7-8-9(3,4)6-2/h5-8H2,1-4H3
InChI Key
BVAKDOXCVSMKHE-UHFFFAOYSA-N
Formula
C9H20
SMILES
CCCCC(C)(C)CC
Molecular Weight1
128.26
CAS
4032-86-4
Other Names
  • 3,3-Dimethylheptane

Physical Properties

Property Value Unit Source
ω 0.3790 KDB
AP 347.150 K KDB
Δf 27.74 kJ/mol Joback Calculated Property
Δc,grossH 6116.21 kJ/mol KDB
Δc,netH 5676.098 kJ/mol KDB
Δfgas -237.84 kJ/mol Joback Calculated Property
Δfus 11.65 kJ/mol Joback Calculated Property
Δvap 42.60 kJ/mol NIST
log10WS -3.35 Crippen Calculated Property
logPoct/wat 3.613 Crippen Calculated Property
McVol 137.670 ml/mol McGowan Calculated Property
NFPA Fire 3 KDB
Pc 2430.00 kPa KDB
Inp [832.00; 844.60]   Show Hide
Inp 838.00 NIST
Inp 834.00 NIST
Inp 836.00 NIST
Inp 837.00 NIST
Inp 839.00 NIST
Inp 839.10 NIST
Inp 839.10 NIST
Inp 837.00 NIST
Inp 837.30 NIST
Inp 839.00 NIST
Inp 836.50 NIST
Inp 836.00 NIST
Inp 838.00 NIST
Inp Outlier 832.00 NIST
Inp 833.00 NIST
Inp 834.00 NIST
Inp 835.00 NIST
Inp 836.00 NIST
Inp 837.00 NIST
Inp 839.00 NIST
Inp 834.00 NIST
Inp 836.00 NIST
Inp 838.00 NIST
Inp 835.00 NIST
Inp 836.00 NIST
Inp Outlier 844.60 NIST
Inp 839.70 NIST
Inp 834.60 NIST
Inp 836.13 NIST
Inp 836.23 NIST
Inp 835.00 NIST
Inp 835.60 NIST
Inp 835.00 NIST
Inp 840.00 NIST
Inp 839.00 NIST
Inp 841.00 NIST
Inp Outlier 844.00 NIST
Inp 839.00 NIST
Inp 834.00 NIST
Inp Outlier 843.00 NIST
Inp 836.00 NIST
Inp 837.00 NIST
Inp 838.00 NIST
Inp 840.00 NIST
Inp 842.00 NIST
Inp 836.00 NIST
Inp 835.00 NIST
Inp 840.00 NIST
Inp 836.00 NIST
Inp 839.70 NIST
Inp 835.60 NIST
Inp 839.00 NIST
Inp 838.00 NIST
Inp 839.10 NIST
Inp 836.50 NIST
Inp 834.00 NIST
Tboil 410.20 K KDB
Tc 588.40 K KDB
Tfus 170.00 K KDB
Vc 0.506 m3/kmol KDB
Zc 0.2513320 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 35.31 kJ/mol 410.20 KDB
n0 1.40630 298.15 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.62] kPa [305.86; 435.87] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.49951e+01
Coefficient B-3.68576e+03
Coefficient C-5.52550e+01
Temperature range, min.305.86
Temperature range, max.435.87
Pvap 1.33 kPa 305.86 Calculated Property
Pvap 2.97 kPa 320.31 Calculated Property
Pvap 6.10 kPa 334.75 Calculated Property
Pvap 11.66 kPa 349.20 Calculated Property
Pvap 20.97 kPa 363.64 Calculated Property
Pvap 35.81 kPa 378.09 Calculated Property
Pvap 58.39 kPa 392.53 Calculated Property
Pvap 91.46 kPa 406.98 Calculated Property
Pvap 138.29 kPa 421.42 Calculated Property
Pvap 202.62 kPa 435.87 Calculated Property
Pvap [3.82; 309.17] kPa [319.00; 458.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A8.96890e+01
Coefficient B-8.03316e+03
Coefficient C-1.10809e+01
Coefficient D7.03669e-06
Temperature range, min.319.00
Temperature range, max.458.00
Pvap 3.82 kPa 319.00 Calculated Property
Pvap 7.76 kPa 334.44 Calculated Property
Pvap 14.63 kPa 349.89 Calculated Property
Pvap 25.87 kPa 365.33 Calculated Property
Pvap 43.26 kPa 380.78 Calculated Property
Pvap 68.95 kPa 396.22 Calculated Property
Pvap 105.43 kPa 411.67 Calculated Property
Pvap 155.52 kPa 427.11 Calculated Property
Pvap 222.30 kPa 442.56 Calculated Property
Pvap 309.17 kPa 458.00 Calculated Property

Similar Compounds

Nonane, 3,3-dimethyl. 3,3-Dimethylpentacosane. 3,3-Dimethylnonadecane. 3,3-Dimethylpentadecane. Undecane, 3,3-dimethyl-. 3,3-Dimethyltricosane. 3,3-Dimethyltridecane. 3,3-Dimethylhenicosane. 3,3-Dimethylheptadecane. 3-Ethyl-3-methylheptane. Octane, 3,3-dimethyl-. 4,4-Dimethyl octane. 4-Ethyl-4-methyloctane. 5-Ethyl-5-methylnonane. Undecane, 6,6-dimethyl-.

Find more compounds similar to Heptane, 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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