Chemical Properties of o-Xylene (CAS 95-47-6)

o-Xylene

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InChI
InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
InChI Key
CTQNGGLPUBDAKN-UHFFFAOYSA-N
Formula
C8H10
SMILES
Cc1ccccc1C
Molecular Weight1
106.17
CAS
95-47-6
Other Names
  • 1,2-Dimethylbenzene
  • 1,2-Xylene
  • 1,2-dimethyl-benzene ( o-xylene)
  • 2-Methyltoluene
  • 3,4-Xylene
  • Benzene, 1,2-dimethyl-
  • NSC 60920
  • o-Dimethylbenzene
  • o-Methyltoluene
  • o-Xylol
  • ortho-Xylene
Sources

Physical Properties

Property Value Unit Source
PAff 796.00 kJ/mol NIST
PAff 791.20 kJ/mol NIST
PAff 793.50 ± 1.70 kJ/mol NIST
BasG 768.30 kJ/mol NIST
BasG 765.30 kJ/mol NIST
BasG 772.10 ± 2.20 kJ/mol NIST
Δcliquid [-4581.40; -4551.48] kJ/mol Show Hide
Δcliquid -4551.48 ± 0.50 kJ/mol NIST
Δcliquid -4552.90 ± 1.00 kJ/mol NIST
Δcliquid -4567.60 kJ/mol NIST
Δcliquid -4581.40 kJ/mol NIST
SProt 36.90 J/mol×K NIST
Δf 119.26 kJ/mol Joback Calculated Property
Δfgas 19.00 ± 1.10 kJ/mol NIST
Δfliquid -24.40 ± 1.10 kJ/mol NIST
Δfus 10.13 kJ/mol Joback Calculated Property
Δvap [36.80; 43.96] kJ/mol Show Hide
Δvap 43.45 kJ/mol NIST
Δvap 42.90 kJ/mol NIST
Δvap 43.40 kJ/mol NIST
Δvap 43.96 kJ/mol NIST
Δvap 36.90 kJ/mol NIST
Δvap 43.40 ± 0.10 kJ/mol NIST
Δvap 43.43 kJ/mol NIST
Δvap 43.40 kJ/mol NIST
Δvap 36.80 ± 0.40 kJ/mol NIST
IE [8.45; 8.85] eV Show Hide
IE 8.56 ± 0.04 eV NIST
IE 8.56 ± 0.01 eV NIST
IE Outlier 8.85 ± 0.05 eV NIST
IE 8.45 ± 0.02 eV NIST
IE 8.70 eV NIST
IE 8.60 ± 0.10 eV NIST
IE 8.61 eV NIST
IE 8.55 eV NIST
IE 8.56 ± 0.01 eV NIST
IE 8.56 ± 0.02 eV NIST
IE 8.58 ± 0.01 eV NIST
IE 8.56 eV NIST
IE 8.57 ± 0.03 eV NIST
IE 8.57 eV NIST
IE 8.75 ± 0.03 eV NIST
logPoct/wat 2.303 Crippen Calculated Property
Pc [3191.74; 4006.15] kPa Show Hide
Pc 3730.00 ± 40.00 kPa NIST
Pc 3731.80 ± 5.00 kPa NIST
Pc 3754.00 ± 10.34 kPa NIST
Pc 3808.10 ± 80.00 kPa NIST
Pc 4006.15 ± 6.00 kPa NIST
Pc Outlier 3191.74 ± 1.50 kPa NIST
Pc 3620.00 ± 9.81 kPa NIST
gas 353.60 ± 1.30 J/mol×K NIST
liquid 246.02 J/mol×K NIST
liquid 248.10 J/mol×K NIST
Tboil [414.30; 417.90] K Show Hide
Tboil 417.25 ± 0.30 K NIST
Tboil 417.60 K NIST
Tboil 417.60 K NIST
Tboil 417.60 ± 0.30 K NIST
Tboil 417.40 ± 0.70 K NIST
Tboil 417.56 ± 0.20 K NIST
Tboil 417.60 ± 0.20 K NIST
Tboil 417.55 ± 0.15 K NIST
Tboil 417.10 ± 0.80 K NIST
Tboil 417.55 ± 0.30 K NIST
Tboil 417.56 ± 0.30 K NIST
Tboil 417.55 ± 0.50 K NIST
Tboil 417.90 ± 0.15 K NIST
Tboil 417.00 ± 3.00 K NIST
Tboil 417.15 ± 0.70 K NIST
Tboil 417.65 ± 2.00 K NIST
Tboil 417.61 ± 0.25 K NIST
Tboil 417.60 ± 0.60 K NIST
Tboil 417.56 ± 0.02 K NIST
Tboil 416.90 ± 1.00 K NIST
Tboil 417.55 ± 0.30 K NIST
Tboil 417.61 ± 0.20 K NIST
Tboil 417.61 ± 0.20 K NIST
Tboil 417.56 ± 0.01 K NIST
Tboil 417.56 ± 0.25 K NIST
Tboil 417.40 ± 1.00 K NIST
Tboil 417.60 ± 0.20 K NIST
Tboil Outlier 415.15 ± 0.50 K NIST
Tboil 417.57 ± 0.06 K NIST
Tboil 417.60 ± 0.20 K NIST
Tboil 417.56 ± 0.15 K NIST
Tboil 417.55 ± 0.40 K NIST
Tboil 417.45 ± 0.30 K NIST
Tboil 417.65 ± 0.20 K NIST
Tboil 417.15 ± 1.50 K NIST
Tboil 417.55 ± 0.10 K NIST
Tboil 417.65 ± 0.20 K NIST
Tboil 417.20 ± 0.20 K NIST
Tboil 417.55 ± 0.50 K NIST
Tboil 417.25 ± 0.40 K NIST
Tboil 416.85 ± 0.60 K NIST
Tboil 417.20 ± 0.25 K NIST
Tboil 415.85 ± 0.30 K NIST
Tboil 415.55 ± 0.40 K NIST
Tboil Outlier 415.00 ± 3.00 K NIST
Tboil 417.15 ± 0.40 K NIST
Tboil Outlier 415.00 ± 3.00 K NIST
Tboil Outlier 415.00 ± 2.00 K NIST
Tboil 415.75 ± 0.50 K NIST
Tboil 416.00 ± 2.00 K NIST
Tboil Outlier 414.30 ± 1.50 K NIST
Tc [617.45; 636.10] K Show Hide
Tc 630.30 ± 0.50 K NIST
Tc 630.33 ± 0.10 K NIST
Tc 629.40 ± 0.50 K NIST
Tc 631.59 ± 1.50 K NIST
Tc 629.40 ± 1.00 K NIST
Tc 630.30 ± 0.60 K NIST
Tc 631.00 ± 2.00 K NIST
Tc Outlier 617.45 ± 1.50 K NIST
Tc 631.10 ± 0.80 K NIST
Tc 631.70 ± 2.00 K NIST
Tc 636.10 ± 6.00 K NIST
Tc 631.50 ± 1.50 K NIST
Tfus [228.20; 248.20] K Show Hide
Tfus 248.20 ± 0.50 K NIST
Tfus 247.85 ± 0.50 K NIST
Tfus 247.92 ± 0.50 K NIST
Tfus 245.15 ± 1.50 K NIST
Tfus 247.92 ± 0.20 K NIST
Tfus 247.92 ± 0.01 K NIST
Tfus 247.93 ± 0.10 K NIST
Tfus 248.03 ± 0.06 K NIST
Tfus 248.15 ± 2.00 K NIST
Tfus 248.15 ± 0.25 K NIST
Tfus 247.90 ± 0.60 K NIST
Tfus 245.20 ± 0.20 K NIST
Tfus Outlier 228.20 ± 0.50 K NIST
Ttriple 247.80 ± 0.25 K NIST
Vc 0.370 m3/kg-mol NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 168.20 ± 1.70 J/mol×K 393.0 NIST
Cp,gas 182.00 ± 1.70 J/mol×K 428.0 NIST
Cp,gas 192.50 ± 2.10 J/mol×K 463.0 NIST
Cp,liquid [182.40; 206.70] J/mol×K [298.00; 347.00] Show Hide
Plot of Liquid phase heat capacity.
Cp,liquid 187.00 J/mol×K 298.0 NIST
Cp,liquid 183.89 J/mol×K 298.1 NIST
Cp,liquid 187.65 J/mol×K 298.15 NIST
Cp,liquid 187.58 J/mol×K 298.15 NIST
Cp,liquid 187.82 J/mol×K 298.15 NIST
Cp,liquid 182.40 J/mol×K 303.0 NIST
Cp,liquid 206.70 J/mol×K 347.0 NIST
η 0.0002173 Pa×s 414.1 Joback Calculated Property
ΔfusH 13.60 kJ/mol 247.8 NIST
ΔfusH 13.60 kJ/mol 247.8 NIST
ΔfusH 13.60 kJ/mol 247.82 NIST
ΔsubH 60.10 kJ/mol 248.0 NIST
ΔvapH [36.24; 45.00] kJ/mol [298.00; 598.50] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 45.00 kJ/mol 298.0 NIST
ΔvapH 41.10 kJ/mol 376.0 NIST
ΔvapH 40.80 kJ/mol 378.0 NIST
ΔvapH 39.80 kJ/mol 401.0 NIST
ΔvapH 36.24 kJ/mol 417.6 NIST
ΔvapH 38.00 kJ/mol 444.5 NIST
ΔvapH 36.70 kJ/mol 521.0 NIST
ΔvapH 36.70 kJ/mol 598.5 NIST
ΔfusS 54.87 J/mol×K 247.82 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-CH3 2
=CH- (ring) 4

Similar Compounds

2-Methylbenzyl radical. Benzene, 1,2,3-trimethyl-. Benzene, 1,2,4,5-tetramethyl-. Benzene, 1,2,4-trimethyl-. Bistoluenetitanium. Benzyl radical. Toluene. Benzene, 1,2,3,5-tetramethyl-. Benzene, 1,3-dimethyl-. 3-Methylbenzyl radical. Benzene, 1,2,3,4-tetramethyl-. Benzene, pentamethyl-. Benzene, hexamethyl-. Benzene, 1,3,5-trimethyl-. 4-Methylbenzyl radical.

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