Chemical Properties of Benzene, 4-(chloromethyl)-1,2-dimethyl- (CAS 102-46-5)

Benzene, 4-(chloromethyl)-1,2-dimethyl-

InChI
InChI=1S/C9H11Cl/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,6H2,1-2H3
InChI Key
UBQRAAXAHIKWRI-UHFFFAOYSA-N
Formula
C9H11Cl
SMILES
Cc1ccc(CCl)cc1C
Molecular Weight1
154.64
CAS
102-46-5
Other Names
  • 1,2-Dimethyl-4-(chloromethyl)benzene
  • 3,4-Dimethylbenzyl chloride
  • 4-(chloromethyl)-o-xylene
  • Benzene, 1-(chloromethyl)-3,4-dimethyl-
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Physical Properties

Property Value Unit Source
ω 0.4004 Relay (1.0) Calculated Property
ΔfG° 106.12 kJ/mol Joback Calculated Property
ΔfH°gas -49.99 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 16.53 kJ/mol Joback Calculated Property
ΔvapH° 60.10 kJ/mol Relay (1.0) Calculated Property
IE 8.57 eV Relay (1.0) Calculated Property
log10WS -3.52 Relay (1.0) Calculated Property
logPoct/wat 3.042 Crippen Calculated Property
McVol 126.150 ml/mol McGowan Calculated Property
Pc 3025.61 kPa Joback Calculated Property
Inp [1200.00; 1233.00]   Show Hide
Inp 1233.00 NIST
Inp 1200.00 NIST
Tboil 497.83 K Relay (1.0) Calculated Property
Tc 722.19 K Relay (1.0) Calculated Property
Tfus 288.97 K Relay (1.0) Calculated Property
Vc 0.462 m3/kmol Relay (1.0) Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 389.70 K 3.20 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [157.66; 367.31] 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 A2.29100e+00
Coefficient B6.67740e-01
Coefficient C-3.83320e-04
Coefficient D8.06000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 157.66 J/mol×K 273.00 Calculated Property
Cp,gas 194.12 J/mol×K 353.78 Calculated Property
Cp,gas 226.69 J/mol×K 434.56 Calculated Property
Cp,gas 255.63 J/mol×K 515.33 Calculated Property
Cp,gas 281.20 J/mol×K 596.11 Calculated Property
Cp,gas 303.64 J/mol×K 676.89 Calculated Property
Cp,gas 323.22 J/mol×K 757.67 Calculated Property
Cp,gas 340.19 J/mol×K 838.44 Calculated Property
Cp,gas 354.80 J/mol×K 919.22 Calculated Property
Cp,gas 367.31 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0017313; 0.0002259] Pa×s [272.57; 487.20] 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-1.09819e+01
Coefficient B1.26010e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.272.57
Temperature range, max.487.20
η 0.0017313 Pa×s 272.57 Calculated Property
η 0.0011936 Pa×s 296.42 Calculated Property
η 0.0008697 Pa×s 320.26 Calculated Property
η 0.0006622 Pa×s 344.11 Calculated Property
η 0.0005223 Pa×s 367.96 Calculated Property
η 0.0004240 Pa×s 391.81 Calculated Property
η 0.0003526 Pa×s 415.65 Calculated Property
η 0.0002991 Pa×s 439.50 Calculated Property
η 0.0002581 Pa×s 463.35 Calculated Property
η 0.0002259 Pa×s 487.20 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [355.57; 521.02] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.38272e+01
Coefficient B-3.79701e+03
Coefficient C-7.51370e+01
Temperature range, min.355.57
Temperature range, max.521.02
Pvap 1.33 kPa 355.57 Calculated Property
Pvap 3.07 kPa 373.95 Calculated Property
Pvap 6.40 kPa 392.34 Calculated Property
Pvap 12.34 kPa 410.72 Calculated Property
Pvap 22.20 kPa 429.10 Calculated Property
Pvap 37.71 kPa 447.49 Calculated Property
Pvap 60.92 kPa 465.87 Calculated Property
Pvap 94.28 kPa 484.25 Calculated Property
Pvap 140.52 kPa 502.64 Calculated Property
Pvap 202.66 kPa 521.02 Calculated Property

Similar Compounds

Benzene, 1,4-bis(chloromethyl)-2-methyl-. 2,4-DI[CHLOROMETHYL]TOLUENE. BENZENE, 1-(CHLOROMETHYL)-2,4-DIMETHYL-. 2,5-Dimethylbenzyl chloride. Benzene, 1,2-bis-(chloromethyl)-4-methyl. Benzene, 1,2,4-tris-(chloromethyl). 1,2,3-Trimethyl-4-(chloromethyl)benzene. Benzene, 1-(chloromethyl)-3-methyl-. 1,2-Dimethyl-3,6-bis(chloromethyl)benzene. 1,2-Dimethyl-3,5-bis(chloromethyl)benzene. Benzene, 1,3-bis(chloromethyl)-. 1,2-Dimethyl-3,4-bis(chloromethyl)benzene. Benzene, 1-(chloromethyl)-2,4,5-trimethyl-. 2,5-Bis(chloromethyl)-p-xylene. 1,2,4-trimethyl-6-(chloromethyl)benzene.

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

Sources

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