Chemical Properties of P-xylene, 2,3,5,6-tetrachloro (CAS 877-10-1)

P-xylene, 2,3,5,6-tetrachloro

InChI
InChI=1S/C8H6Cl4/c1-3-5(9)7(11)4(2)8(12)6(3)10/h1-2H3
InChI Key
CTSQZGJZQUVGBQ-UHFFFAOYSA-N
Formula
C8H6Cl4
SMILES
Cc1c(Cl)c(Cl)c(C)c(Cl)c1Cl
Molecular Weight1
243.95
CAS
877-10-1
Other Names
  • 1,2,4,5-Tetrachloro-3,6-dimethylbenzene
  • 2,3,5,6-tetrachloro-p-xylene
  • Benzene, 1,2,4,5-tetrachloro-3,6-dimethyl-
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Physical Properties

Property Value Unit Source
ω 0.4545 Relay (1.0) Calculated Property
ΔcH°solid [-3926.20; -3923.90] kJ/mol Show Hide
ΔcH°solid -3926.20 kJ/mol NIST
ΔcH°solid -3923.90 ± 0.59 kJ/mol NIST
ΔfH°gas -65.08 kJ/mol Relay (1.0) Calculated Property
ΔfH°solid [-176.00; -174.20] kJ/mol Show Hide
ΔfH°solid -174.20 kJ/mol NIST
ΔfH°solid -176.00 kJ/mol NIST
ΔfusH° 25.36 kJ/mol Joback Calculated Property
ΔvapH° 68.10 kJ/mol Relay (1.0) Calculated Property
IE 8.65 eV Relay (1.0) Calculated Property
log10WS -6.45 Relay (1.0) Calculated Property
logPoct/wat 4.917 Crippen Calculated Property
McVol 148.780 ml/mol McGowan Calculated Property
Pc 2835.36 kPa Joback Calculated Property
Tboil 558.08 K Relay (1.0) Calculated Property
Tc 794.56 K Relay (1.0) Calculated Property
Tfus [370.00; 521.00] K Show Hide
Tfus 489.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 521.00 ± 2.00 K NIST
Tfus 370.00 ± 1.00 K NIST
Tfus 521.00 ± 2.00 K NIST
Vc 0.554 m3/kmol Relay (1.0) Calculated Property

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH [22.59; 22.59] kJ/mol [368.20; 368.20] Show Hide
ΔfusH 22.59 kJ/mol 368.20 NIST
ΔfusH 22.59 kJ/mol 368.20 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [184.31; 331.41] 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 A8.47700e+01
Coefficient B4.14640e-01
Coefficient C-1.89000e-04
Coefficient D2.10000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 184.31 J/mol×K 273.00 Calculated Property
Cp,gas 208.74 J/mol×K 353.78 Calculated Property
Cp,gas 230.99 J/mol×K 434.56 Calculated Property
Cp,gas 251.13 J/mol×K 515.33 Calculated Property
Cp,gas 269.23 J/mol×K 596.11 Calculated Property
Cp,gas 285.35 J/mol×K 676.89 Calculated Property
Cp,gas 299.57 J/mol×K 757.67 Calculated Property
Cp,gas 311.94 J/mol×K 838.44 Calculated Property
Cp,gas 322.53 J/mol×K 919.22 Calculated Property
Cp,gas 331.41 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0004456; 0.0002547] Pa×s [475.29; 575.55] 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-1.09270e+01
Coefficient B1.52612e+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.475.29
Temperature range, max.575.55
η 0.0004456 Pa×s 475.29 Calculated Property
η 0.0004140 Pa×s 486.43 Calculated Property
η 0.0003859 Pa×s 497.57 Calculated Property
η 0.0003608 Pa×s 508.71 Calculated Property
η 0.0003384 Pa×s 519.85 Calculated Property
η 0.0003182 Pa×s 530.99 Calculated Property
η 0.0002999 Pa×s 542.13 Calculated Property
η 0.0002834 Pa×s 553.27 Calculated Property
η 0.0002684 Pa×s 564.41 Calculated Property
η 0.0002547 Pa×s 575.55 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [403.56; 581.14] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.40947e+01
Coefficient B-4.28666e+03
Coefficient C-9.30910e+01
Temperature range, min.403.56
Temperature range, max.581.14
Pvap 1.33 kPa 403.56 Calculated Property
Pvap 3.04 kPa 423.29 Calculated Property
Pvap 6.33 kPa 443.02 Calculated Property
Pvap 12.17 kPa 462.75 Calculated Property
Pvap 21.89 kPa 482.48 Calculated Property
Pvap 37.23 kPa 502.22 Calculated Property
Pvap 60.29 kPa 521.95 Calculated Property
Pvap 93.58 kPa 541.68 Calculated Property
Pvap 139.97 kPa 561.41 Calculated Property
Pvap 202.65 kPa 581.14 Calculated Property

Similar Compounds

2,3,4,5,6-PENTACHLOROTOLUENE. Benzene, 1,2,3,5-tetrachloro-4,6-dimethyl-. 1,2,4,5-tetrachloro-3-methylbenzene. Benzene, 1,2,4,5-tetrachloro-3,6-bis(chloromethyl)-. [2H7]-2,3,5-Trichloro-1,4-dimethylbenzene. 1,2,3,5-tetrachloro-4-methylbenzene. 1,2,3-Trichloro-4,5,6-trimethylbenzene. Benzene, 1,3,5-trichloro-2,4,6-trimethyl-. Benzene, 1,2,4-trichloro-3-methyl-. 1,2,5-trichloro-3-methylbenzene. Chloropentamethylbenzene. [2H8]-2,5-dichloro-1,4-dimethylbenzene. Benzene, 1,4-dichloro-2,5-dimethyl-. [2H8]-2,3-dichloro-1,4-dimethylbenzene. 2,4,5-trichlorotoluene.

Find more compounds similar to P-xylene, 2,3,5,6-tetrachloro.

Sources

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