Chemical Properties of Benzene, 1-butyl-2-(chloromethyl)-4-methyl

Benzene, 1-butyl-2-(chloromethyl)-4-methyl

InChI
InChI=1S/C12H17Cl/c1-3-4-5-11-7-6-10(2)8-12(11)9-13/h6-8H,3-5,9H2,1-2H3
InChI Key
KOBXEMAXVVKCCF-UHFFFAOYSA-N
Formula
C12H17Cl
SMILES
CCCCc1ccc(C)cc1CCl
Molecular Weight1
196.72
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Physical Properties

Property Value Unit Source
ω 0.5173 Relay (1.0) Calculated Property
ΔfusH° 24.30 kJ/mol Joback Calculated Property
ΔvapH° 66.45 kJ/mol Relay (1.0) Calculated Property
IE 8.48 eV Relay (1.0) Calculated Property
logPoct/wat 4.076 Crippen Calculated Property
McVol 168.420 ml/mol McGowan Calculated Property
Pc 2254.67 kPa Joback Calculated Property
Inp 1462.00 NIST
Tboil 541.40 K Relay (1.0) Calculated Property
Tc 741.65 K Relay (1.0) Calculated Property
Tfus 271.03 K Relay (1.0) Calculated Property
Vc 0.622 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [221.30; 522.08] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-4.36000e-01
Coefficient B9.52740e-01
Coefficient C-5.46520e-04
Coefficient D1.16300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 221.30 J/mol×K 273.00 Calculated Property
Cp,gas 273.37 J/mol×K 353.78 Calculated Property
Cp,gas 319.92 J/mol×K 434.56 Calculated Property
Cp,gas 361.32 J/mol×K 515.33 Calculated Property
Cp,gas 397.93 J/mol×K 596.11 Calculated Property
Cp,gas 430.13 J/mol×K 676.89 Calculated Property
Cp,gas 458.27 J/mol×K 757.67 Calculated Property
Cp,gas 482.74 J/mol×K 838.44 Calculated Property
Cp,gas 503.88 J/mol×K 919.22 Calculated Property
Cp,gas 522.08 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0018302; 0.0002208] Pa×s [306.38; 528.32] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.13382e+01
Coefficient B1.54258e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.306.38
Temperature range, max.528.32
η 0.0018302 Pa×s 306.38 Calculated Property
η 0.0012578 Pa×s 331.04 Calculated Property
η 0.0009106 Pa×s 355.70 Calculated Property
η 0.0006874 Pa×s 380.36 Calculated Property
η 0.0005370 Pa×s 405.02 Calculated Property
η 0.0004316 Pa×s 429.68 Calculated Property
η 0.0003551 Pa×s 454.34 Calculated Property
η 0.0002982 Pa×s 479.00 Calculated Property
η 0.0002547 Pa×s 503.66 Calculated Property
η 0.0002208 Pa×s 528.32 Calculated Property

Similar Compounds

Benzene, 1-butyl-2,4-dimethyl. Benzene, 2-butyl-1,4-dimethyl. Benzene, 1,4-dimethyl-2-pentyl. Benzene, 1-butyl-2-methyl-. Naphthalene, 6-butyl-1,2,3,4-tetrahydro-. Naphthalene, 1,2,3,4-tetrahydro-6-methyl-. Benzene, 1,4-dimethyl-2-hexyl. Benzene, 1-butyl-2,3-dimethyl. Benzene, 1,4-dimethyl-2-octadecyl-. Naphthalene, 1,2,3,4-tetrahydro-6-propyl-. Benzene, 2-(4-chlorobutyl)-1,4-dimethyl. Naphthalene, 6-ethyl-1,2,3,4-tetrahydro-. Benzene, 2-(1-chlorobutyl)-1,4-dimethyl. Benzene, 3-butyl-1(chloromethyl)-4-methyl. Benzene, 1-butyl-2-ethyl-.

Find more compounds similar to Benzene, 1-butyl-2-(chloromethyl)-4-methyl.

Sources

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