Chemical Properties of ALPHA-CHLORO-ORTHO-XYLENE (CAS 552-45-4)

ALPHA-CHLORO-ORTHO-XYLENE

InChI
InChI=1S/C8H9Cl/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3
InChI Key
VQRBXYBBGHOGFT-UHFFFAOYSA-N
Formula
C8H9Cl
SMILES
Cc1ccccc1CCl
Molecular Weight1
140.61
CAS
552-45-4
Other Names
  • 1-(Chloromethyl)-2-methylbenzene
  • 2-(Chloromethyl)toluene
  • 2-Methylbenzyl chloride
  • Benzene, 1-(chloromethyl)-2-methyl-
  • o-(Chloromethyl)toluene
  • o-Methylbenzyl chloride
  • o-Xylene, «alpha»-chloro-
  • o-Xylyl chloride
  • o-Xylyl-«alpha»-chloride
  • «alpha»-Chloro-o-xylene
  • «alpha»-Chloro-ortho-xylene
  • «omega»-Chloro-o-xylene
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Physical Properties

Property Value Unit Source
ω 0.3453 Relay (1.0) Calculated Property
ΔfG° 107.33 kJ/mol Joback Calculated Property
ΔfH°gas -18.53 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 14.32 kJ/mol Joback Calculated Property
ΔvapH° 53.96 kJ/mol Relay (1.0) Calculated Property
IE 8.89 eV Relay (1.0) Calculated Property
log10WS -2.93 Relay (1.0) Calculated Property
logPoct/wat 2.734 Crippen Calculated Property
McVol 112.060 ml/mol McGowan Calculated Property
Pc 3431.89 kPa Joback Calculated Property
Inp [1098.00; 1105.00]   Show Hide
Inp 1098.00 NIST
Inp 1105.00 NIST
Tboil 471.20 K NIST
Tc 703.77 K Relay (1.0) Calculated Property
Tfus 273.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc 0.403 m3/kmol Relay (1.0) Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [133.89; 318.76] 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-1.10990e+01
Coefficient B6.32220e-01
Coefficient C-3.95960e-04
Coefficient D9.36000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 133.89 J/mol×K 273.00 Calculated Property
Cp,gas 167.15 J/mol×K 353.78 Calculated Property
Cp,gas 196.54 J/mol×K 434.56 Calculated Property
Cp,gas 222.36 J/mol×K 515.33 Calculated Property
Cp,gas 244.90 J/mol×K 596.11 Calculated Property
Cp,gas 264.45 J/mol×K 676.89 Calculated Property
Cp,gas 281.32 J/mol×K 757.67 Calculated Property
Cp,gas 295.80 J/mol×K 838.44 Calculated Property
Cp,gas 308.18 J/mol×K 919.22 Calculated Property
Cp,gas 318.76 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0014798; 0.0002302] Pa×s [273.15; 469.00] 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-1.09720e+01
Coefficient B1.21720e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.273.15
Temperature range, max.469.00
η 0.0014798 Pa×s 273.15 Calculated Property
η 0.0010651 Pa×s 294.91 Calculated Property
η 0.0008021 Pa×s 316.67 Calculated Property
η 0.0006265 Pa×s 338.43 Calculated Property
η 0.0005041 Pa×s 360.19 Calculated Property
η 0.0004158 Pa×s 381.96 Calculated Property
η 0.0003502 Pa×s 403.72 Calculated Property
η 0.0003002 Pa×s 425.48 Calculated Property
η 0.0002612 Pa×s 447.24 Calculated Property
η 0.0002302 Pa×s 469.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [346.92; 502.34] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.41938e+01
Coefficient B-3.82130e+03
Coefficient C-7.21300e+01
Temperature range, min.346.92
Temperature range, max.502.34
Pvap 1.33 kPa 346.92 Calculated Property
Pvap 3.03 kPa 364.19 Calculated Property
Pvap 6.30 kPa 381.46 Calculated Property
Pvap 12.10 kPa 398.73 Calculated Property
Pvap 21.78 kPa 416.00 Calculated Property
Pvap 37.06 kPa 433.26 Calculated Property
Pvap 60.06 kPa 450.53 Calculated Property
Pvap 93.33 kPa 467.80 Calculated Property
Pvap 139.77 kPa 485.07 Calculated Property
Pvap 202.64 kPa 502.34 Calculated Property

Similar Compounds

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

Find more compounds similar to ALPHA-CHLORO-ORTHO-XYLENE.

Sources

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