Chemical Properties of Benzene, 1,2,3-trimethyl- (CAS 526-73-8)

InChI

InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3

InChI Key

FYGHSUNMUKGBRK-UHFFFAOYSA-N

Formula

C9H12

SMILES

Cc1cccc(C)c1C

Molecular Weight¹

120.19

CAS

526-73-8

Other Names

• 1,2,3-TrimethyIbenzene
• 1,2,3-trimethylbenzene
• 1,2,3-trimethylbenzene (hemimellitene)
• 1,2,34rimethylbenzene
• Hemellitol
• hemimellitene

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_c,grossH : Heat of Combustion, Gross form (kJ/mol).
• Δ_c,netH : Heat of Combustion, Net Form (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• NFPA Fire : NFPA Fire Rating.
• P_c : Critical Pressure (kPa).
• P_triple : Triple Point Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_gas : Molar entropy at standard conditions (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• λ_gas : Gas thermal conductivity (W/m×K).
• λ_liquid : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.3660; 0.3934]
ω	0.3669		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.3934		Passut and Danner (1973), critical constants and acentric factors Compiled value
ω	0.3670		ChemSep v8.3 pure component data Compiled value
ω	0.3660		KDB
ΔcH°liquid	-5198.00 ± 1.20	kJ/mol	NIST
μ	0.56	debye	ChemSep v8.3 pure component data Compiled value
ΔfG°	[124.40; 124.60]	kJ/mol
ΔfG°	124.40	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfG°	124.60	kJ/mol	KDB
Δc,grossH	5198.03	kJ/mol	KDB
Δc,netH	4933.940	kJ/mol	KDB
ΔfH°gas	[-9.60; -9.57]	kJ/mol
ΔfH°gas	-9.57	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-9.59	kJ/mol	KDB
ΔfH°gas	-9.60 ± 1.30	kJ/mol	NIST
ΔfH°liquid	-58.60 ± 1.30	kJ/mol	NIST
ΔfusH°	12.33	kJ/mol	Joback Calculated Property
ΔvapH°	[48.80; 49.10]	kJ/mol
ΔvapH°	49.06	kJ/mol	NIST
ΔvapH°	49.00	kJ/mol	NIST
ΔvapH°	Outlier 48.80	kJ/mol	NIST
ΔvapH°	49.10	kJ/mol	NIST
ΔvapH°	49.10	kJ/mol	NIST
ΔvapH°	49.05	kJ/mol	NIST
ΔvapH°	49.00	kJ/mol	NIST
IE	[8.42; 8.60]	eV
IE	8.42 ± 0.02	eV	NIST
IE	8.42 ± 0.02	eV	NIST
IE	8.48 ± 0.01	eV	NIST
IE	8.42	eV	NIST
IE	8.60 ± 0.03	eV	NIST
log10WS	[-3.20; -3.20]
log10WS	-3.20		Aq. Solubility Prediction
log10WS	-3.20		Estimated Solubility
logPoct/wat	2.612		Crippen Calculated Property
McVol	113.910	ml/mol	McGowan Calculated Property
NFPA Fire	2		KDB
Pc	[3442.60; 3455.18]	kPa
Pc	3454.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 3 Compiled value
Pc	3455.18	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	3454.27	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc	3454.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	3454.00	kPa	KDB
Pc	3450.00 ± 40.00	kPa	NIST
Pc	Outlier 3442.60 ± 50.00	kPa	NIST
Pc	3454.00 ± 6.00	kPa	NIST
Ptriple	3.71e-03	kPa	ChemSep v8.3 pure component data Compiled value
Inp	[162.60; 1048.00]
Inp	1035.40		NIST
Inp	1043.50		NIST
Inp	1001.05		NIST
Inp	1015.80		NIST
Inp	1022.40		NIST
Inp	1013.00		NIST
Inp	1001.00		NIST
Inp	1002.00		NIST
Inp	1014.00		NIST
Inp	1014.00		NIST
Inp	1014.90		NIST
Inp	1021.90		NIST
Inp	1016.00		NIST
Inp	1016.00		NIST
Inp	1016.00		NIST
Inp	1016.00		NIST
Inp	1012.00		NIST
Inp	1013.00		NIST
Inp	1016.00		NIST
Inp	1013.00		NIST
Inp	1017.00		NIST
Inp	1010.00		NIST
Inp	1012.00		NIST
Inp	1009.00		NIST
Inp	999.90		NIST
Inp	1000.00		NIST
Inp	1006.00		NIST
Inp	1029.00		NIST
Inp	1009.00		NIST
Inp	1016.00		NIST
Inp	1023.00		NIST
Inp	1031.00		NIST
Inp	1007.80		NIST
Inp	1010.50		NIST
Inp	1015.90		NIST
Inp	1022.80		NIST
Inp	1031.20		NIST
Inp	1017.00		NIST
Inp	1007.80		NIST
Inp	1007.90		NIST
Inp	1007.80		NIST
Inp	1010.50		NIST
Inp	1013.00		NIST
Inp	1004.31		NIST
Inp	1033.00		NIST
Inp	1010.00		NIST
Inp	1005.20		NIST
Inp	1011.90		NIST
Inp	1018.00		NIST
Inp	1007.00		NIST
Inp	1007.50		NIST
Inp	1034.00		NIST
Inp	1020.60		NIST
Inp	1012.00		NIST
Inp	1004.00		NIST
Inp	1048.00		NIST
Inp	1006.85		NIST
Inp	1010.00		NIST
Inp	1016.00		NIST
Inp	1005.70		NIST
Inp	1005.70		NIST
Inp	999.00		NIST
Inp	1012.00		NIST
Inp	1012.40		NIST
Inp	1016.00		NIST
Inp	1019.90		NIST
Inp	1022.70		NIST
Inp	1032.80		NIST
Inp	1018.00		NIST
Inp	1008.20		NIST
Inp	1007.00		NIST
Inp	1027.00		NIST
Inp	979.70		NIST
Inp	1016.00		NIST
Inp	1019.90		NIST
Inp	1022.70		NIST
Inp	996.00		NIST
Inp	1004.87		NIST
Inp	1005.04		NIST
Inp	1005.00		NIST
Inp	1017.00		NIST
Inp	1004.77		NIST
Inp	1008.90		NIST
Inp	997.82		NIST
Inp	1002.62		NIST
Inp	1005.67		NIST
Inp	1017.96		NIST
Inp	1023.11		NIST
Inp	1026.55		NIST
Inp	1004.00		NIST
Inp	1027.65		NIST
Inp	1009.00		NIST
Inp	1010.00		NIST
Inp	1011.00		NIST
Inp	1016.00		NIST
Inp	1016.00		NIST
Inp	1023.00		NIST
Inp	1023.00		NIST
Inp	1010.00		NIST
Inp	1020.00		NIST
Inp	1016.00		NIST
Inp	1007.00		NIST
Inp	1016.00		NIST
Inp	1015.00		NIST
Inp	1017.00		NIST
Inp	1009.00		NIST
Inp	1020.00		NIST
Inp	1023.00		NIST
Inp	1014.00		NIST
Inp	993.00		NIST
Inp	976.00		NIST
Inp	997.50		NIST
Inp	1034.00		NIST
Inp	962.00		NIST
Inp	998.00		NIST
Inp	1019.00		NIST
Inp	1005.00		NIST
Inp	1000.00		NIST
Inp	1028.20		NIST
Inp	966.00		NIST
Inp	1016.00		NIST
Inp	1000.00		NIST
Inp	981.00		NIST
Inp	1010.00		NIST
Inp	1007.00		NIST
Inp	976.00		NIST
Inp	1020.00		NIST
Inp	1027.00		NIST
Inp	1033.00		NIST
Inp	981.00		NIST
Inp	1022.00		NIST
Inp	1006.00		NIST
Inp	996.00		NIST
Inp	1019.00		NIST
Inp	1006.00		NIST
Inp	1002.00		NIST
Inp	1016.00		NIST
Inp	1000.00		NIST
Inp	1007.00		NIST
Inp	1006.00		NIST
Inp	1011.00		NIST
Inp	1011.00		NIST
Inp	1003.00		NIST
Inp	1016.00		NIST
Inp	1014.60		NIST
Inp	1022.90		NIST
Inp	1020.50		NIST
Inp	1021.90		NIST
Inp	1012.40		NIST
Inp	1033.00		NIST
Inp	1004.00		NIST
Inp	1006.00		NIST
Inp	1009.00		NIST
Inp	1011.00		NIST
Inp	Outlier 162.60		NIST
Inp	1005.70		NIST
Inp	1016.00		NIST
Inp	1008.20		NIST
Inp	1019.90		NIST
Inp	1005.00		NIST
Inp	1002.62		NIST
Inp	1004.00		NIST
Inp	Outlier 162.60		NIST
Inp	1034.00		NIST
Ip	[1295.00; 1382.90]
Ip	1366.30		NIST
Ip	Outlier 1382.90		NIST
Ip	Outlier 1295.00		NIST
Ip	1325.40		NIST
Ip	1320.60		NIST
Ip	1301.80		NIST
Ip	1348.00		NIST
Ip	1369.60		NIST
Ip	1340.00		NIST
Ip	1340.00		NIST
Ip	1329.00		NIST
Ip	1349.00		NIST
Ip	1324.00		NIST
Ip	1324.00		NIST
Ip	1341.00		NIST
Ip	1331.00		NIST
Ip	1337.00		NIST
Ip	1339.00		NIST
Ip	1343.00		NIST
Ip	1343.00		NIST
Ip	1342.00		NIST
Ip	1342.00		NIST
Ip	1340.00		NIST
Ip	1340.00		NIST
Ip	1302.00		NIST
Ip	1327.00		NIST
Ip	1332.00		NIST
Ip	1355.00		NIST
Ip	1344.00		NIST
Ip	1355.00		NIST
Ip	1322.00		NIST
Ip	1355.00		NIST
Ip	1325.00		NIST
Ip	1355.00		NIST
Ip	1355.00		NIST
Ip	1302.00		NIST
Ip	1325.00		NIST
Ip	1308.00		NIST
Ip	1355.00		NIST
Ip	1325.00		NIST
Ip	1308.00		NIST
Ip	1302.00		NIST
Ip	1348.00		NIST
Ip	1349.00		NIST
Ip	1337.00		NIST
Ip	1342.00		NIST
S°gas	384.84 ± 0.63	J/mol×K	NIST
S°liquid	267.94	J/mol×K	NIST
Tboil	[448.00; 450.00]	K
Tboil	449.23	K	ChemSep v8.3 pure component data Compiled value
Tboil	449.27	K	KDB
Tboil	449.30	K	NIST
Tboil	449.25 ± 0.20	K	NIST
Tboil	449.23 ± 0.20	K	NIST
Tboil	449.00 ± 3.00	K	NIST
Tboil	Outlier 450.00 ± 2.00	K	NIST
Tboil	449.30 ± 0.50	K	NIST
Tboil	449.30 ± 0.30	K	NIST
Tboil	449.00 ± 6.00	K	NIST
Tboil	449.23 ± 0.03	K	NIST
Tboil	449.23 ± 0.15	K	NIST
Tboil	449.24 ± 0.30	K	NIST
Tboil	449.25 ± 0.25	K	NIST
Tboil	449.25 ± 0.30	K	NIST
Tboil	449.22 ± 0.30	K	NIST
Tboil	449.25 ± 0.30	K	NIST
Tboil	449.25 ± 0.30	K	NIST
Tboil	449.23 ± 0.15	K	NIST
Tboil	449.22 ± 0.30	K	NIST
Tboil	449.22 ± 0.20	K	NIST
Tboil	449.25 ± 0.20	K	NIST
Tboil	449.24 ± 0.30	K	NIST
Tboil	449.25 ± 0.20	K	NIST
Tboil	449.25 ± 0.30	K	NIST
Tboil	449.55 ± 1.00	K	NIST
Tboil	Outlier 448.40 ± 0.30	K	NIST
Tboil	449.24 ± 0.20	K	NIST
Tboil	Outlier 448.00 ± 2.00	K	NIST
Tboil	449.25 ± 0.30	K	NIST
Tboil	Outlier 448.25 ± 2.00	K	NIST
Tboil	449.00 ± 2.00	K	NIST
Tc	[664.39; 665.50]	K
Tc	664.50	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 3 Compiled value
Tc	664.50	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	664.53	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc	664.50	K	ChemSep v8.3 pure component data Compiled value
Tc	664.50	K	KDB
Tc	664.50 ± 0.50	K	NIST
Tc	Outlier 665.50 ± 1.50	K	NIST
Tc	664.39 ± 0.10	K	NIST
Tc	664.50 ± 0.30	K	NIST
Tfus	[247.39; 248.15]	K
Tfus	Outlier 248.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	247.79	K	ChemSep v8.3 pure component data Compiled value
Tfus	247.70	K	KDB
Tfus	248.05	K	Aq. Solubility Prediction
Tfus	247.42 ± 1.00	K	NIST
Tfus	247.65 ± 0.30	K	NIST
Tfus	247.62 ± 0.30	K	NIST
Tfus	247.39 ± 0.50	K	NIST
Tfus	247.65 ± 0.20	K	NIST
Tfus	247.62 ± 0.20	K	NIST
Tfus	247.40 ± 0.40	K	NIST
Tfus	247.75 ± 0.20	K	NIST
Tfus	247.76 ± 0.03	K	NIST
Tfus	247.76 ± 0.02	K	NIST
Tfus	247.77 ± 0.01	K	NIST
Tfus	247.62 ± 0.20	K	NIST
Tfus	247.74 ± 0.20	K	NIST
Tfus	247.75 ± 1.50	K	NIST
Ttriple	[247.79; 247.81]	K
Ttriple	247.79	K	ChemSep v8.3 pure component data Compiled value
Ttriple	247.81 ± 0.05	K	NIST
Ttriple	247.80 ± 0.05	K	NIST
Ttriple	247.81 ± 0.05	K	NIST
UQi	4.10		ChemSep v8.3 pure component data Compiled value
URi	5.39		ChemSep v8.3 pure component data Compiled value
Vc	[0.430; 0.435]	m3/kmol
Vc	0.430	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.435	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	0.2670000		ChemSep v8.3 pure component data Compiled value
Zra	0.27		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[200.30; 216.44]	J/mol×K	[250.00; 300.00]
Cp,liquid	200.30	J/mol×K	250.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	203.50	J/mol×K	260.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	206.70	J/mol×K	270.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	207.70	J/mol×K	273.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	209.90	J/mol×K	280.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	213.10	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	215.70	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	216.44	J/mol×K	298.15	NIST
Cp,liquid	216.30	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
ΔfusH	[0.66; 8.18]	kJ/mol	[218.70; 247.80]
ΔfusH	0.66	kJ/mol	218.70	NIST
ΔfusH	1.33	kJ/mol	230.30	NIST
ΔfusH	8.18	kJ/mol	247.80	NIST
ΔfusH	8.18	kJ/mol	247.80	NIST
ΔvapH	[40.04; 44.80]	kJ/mol	[264.50; 449.30]
ΔvapH	42.50	kJ/mol	264.50	NIST
ΔvapH	44.80	kJ/mol	409.50	NIST
ΔvapH	40.04	kJ/mol	449.30	KDB
n0	1.51150		298.15	KDB
ρl	894.00	kg/m3	293.00	KDB
ΔfusS	[3.00; 33.01]	J/mol×K	[218.70; 247.80]
ΔfusS	3.00	J/mol×K	218.70	NIST
ΔfusS	5.80	J/mol×K	230.30	NIST
ΔfusS	33.01	J/mol×K	247.80	NIST
γ	0.03	N/m	293.20	KDB
λliquid	[0.12; 0.13]	W/m×K	[257.62; 331.17]
λliquid	0.13	W/m×K	257.62	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.13	W/m×K	257.83	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.13	W/m×K	257.99	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.13	W/m×K	276.36	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.13	W/m×K	276.58	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.13	W/m×K	276.73	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.13	W/m×K	283.35	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.13	W/m×K	283.57	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.13	W/m×K	283.74	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.13	W/m×K	295.58	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.13	W/m×K	295.81	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.13	W/m×K	295.99	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.13	W/m×K	312.79	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.13	W/m×K	313.04	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.13	W/m×K	313.21	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.12	W/m×K	330.74	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.12	W/m×K	330.99	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.12	W/m×K	331.17	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[117.69; 419.59]	J/mol×K	[200.00; 1500.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			9.73440e+01
Coefficient B			-6.42530e+02
Coefficient C			6.21524e+00
Coefficient D			6.19310e-05
Coefficient E			-4.64380e-08
Temperature range, min.			200.00
Temperature range, max.			1500.00
Cp,gas	117.69	J/mol×K	200.00	Calculated Property
Cp,gas	176.05	J/mol×K	344.44	Calculated Property
Cp,gas	234.37	J/mol×K	488.89	Calculated Property
Cp,gas	282.52	J/mol×K	633.33	Calculated Property
Cp,gas	320.80	J/mol×K	777.78	Calculated Property
Cp,gas	351.04	J/mol×K	922.22	Calculated Property
Cp,gas	374.92	J/mol×K	1066.67	Calculated Property
Cp,gas	393.71	J/mol×K	1211.11	Calculated Property
Cp,gas	408.37	J/mol×K	1355.56	Calculated Property
Cp,gas	419.59	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[200.66; 272.94]	J/mol×K	[247.79; 450.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K
Coefficient A			1.58190e+02
Coefficient B			-1.10870e+02
Coefficient C			2.79274e+00
Coefficient D			6.62460e-03
Coefficient E			-3.87500e-06
Temperature range, min.			247.79
Temperature range, max.			450.00
Cp,liquid	200.66	J/mol×K	247.79	Calculated Property
Cp,liquid	207.09	J/mol×K	270.26	Calculated Property
Cp,liquid	213.95	J/mol×K	292.73	Calculated Property
Cp,liquid	221.25	J/mol×K	315.19	Calculated Property
Cp,liquid	228.96	J/mol×K	337.66	Calculated Property
Cp,liquid	237.08	J/mol×K	360.13	Calculated Property
Cp,liquid	245.57	J/mol×K	382.60	Calculated Property
Cp,liquid	254.41	J/mol×K	405.06	Calculated Property
Cp,liquid	263.55	J/mol×K	427.53	Calculated Property
Cp,liquid	272.94	J/mol×K	450.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024984; 0.0000890]	Pa×s	[247.79; 550.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.36220e+01
Coefficient B			1.54760e+03
Coefficient C			2.56040e-01
Coefficient D			-4.42180e-07
Coefficient E			2.00000e+00
Temperature range, min.			247.79
Temperature range, max.			550.00
η	0.0024984	Pa×s	247.79	Calculated Property
η	0.0012153	Pa×s	281.37	Calculated Property
η	0.0006897	Pa×s	314.95	Calculated Property
η	0.0004366	Pa×s	348.53	Calculated Property
η	0.0002993	Pa×s	382.11	Calculated Property
η	0.0002179	Pa×s	415.68	Calculated Property
η	0.0001661	Pa×s	449.26	Calculated Property
η	0.0001313	Pa×s	482.84	Calculated Property
η	0.0001069	Pa×s	516.42	Calculated Property
η	0.0000890	Pa×s	550.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[50.45; 17.56]	kJ/mol	[247.79; 642.57]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			5.89700e+01
Coefficient B			3.12960e-01
Coefficient C			1.10340e-01
Coefficient D			-1.87070e-01
Coefficient E			1.22030e-01
Critical temperature, Tc (K)			6.64500e+02
Temperature range, min.			247.79
Temperature range, max.			642.57
ΔvapH	50.45	kJ/mol	247.79	Calculated Property
ΔvapH	48.57	kJ/mol	291.65	Calculated Property
ΔvapH	46.54	kJ/mol	335.52	Calculated Property
ΔvapH	44.31	kJ/mol	379.38	Calculated Property
ΔvapH	41.83	kJ/mol	423.25	Calculated Property
ΔvapH	39.01	kJ/mol	467.11	Calculated Property
ΔvapH	35.69	kJ/mol	510.98	Calculated Property
ΔvapH	31.63	kJ/mol	554.84	Calculated Property
ΔvapH	26.26	kJ/mol	598.71	Calculated Property
ΔvapH	17.56	kJ/mol	642.57	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[328.28; 478.90]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47893e+01
Coefficient B			-4.12083e+03
Coefficient C			-4.41160e+01
Temperature range, min.			328.28
Temperature range, max.			478.90
Pvap	1.33	kPa	328.28	Calculated Property
Pvap	2.99	kPa	345.02	Calculated Property
Pvap	6.15	kPa	361.75	Calculated Property
Pvap	11.77	kPa	378.49	Calculated Property
Pvap	21.17	kPa	395.22	Calculated Property
Pvap	36.11	kPa	411.96	Calculated Property
Pvap	58.80	kPa	428.69	Calculated Property
Pvap	91.93	kPa	445.43	Calculated Property
Pvap	138.66	kPa	462.16	Calculated Property
Pvap	202.65	kPa	478.90	Calculated Property
Pvap	[3.05e-03; 3537.49]	kPa	[247.79; 664.50]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			9.64954e+01
Coefficient B			-9.13973e+03
Coefficient C			-1.19411e+01
Coefficient D			6.87514e-06
Coefficient E			2.00000e+00
Temperature range, min.			247.79
Temperature range, max.			664.50
Pvap	3.05e-03	kPa	247.79	Calculated Property
Pvap	0.16	kPa	294.09	Calculated Property
Pvap	2.28	kPa	340.39	Calculated Property
Pvap	15.60	kPa	386.69	Calculated Property
Pvap	65.69	kPa	432.99	Calculated Property
Pvap	200.61	kPa	479.30	Calculated Property
Pvap	492.70	kPa	525.60	Calculated Property
Pvap	1042.07	kPa	571.90	Calculated Property
Pvap	1988.52	kPa	618.20	Calculated Property
Pvap	3537.49	kPa	664.50	Calculated Property
Pvap	[4.23e-03; 3376.53]	kPa	[247.79; 664.53]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			6.06633e+01
Coefficient B			-7.50148e+03
Coefficient C			-6.53516e+00
Coefficient D			2.76776e-06
Coefficient E			0.00000e+00
Temperature range, min.			247.79
Temperature range, max.			664.53
Pvap	4.23e-03	kPa	247.79	Calculated Property
Pvap	0.17	kPa	294.09	Calculated Property
Pvap	2.33	kPa	340.40	Calculated Property
Pvap	15.56	kPa	386.70	Calculated Property
Pvap	65.68	kPa	433.01	Calculated Property
Pvap	202.62	kPa	479.31	Calculated Property
Pvap	500.79	kPa	525.62	Calculated Property
Pvap	1054.25	kPa	571.92	Calculated Property
Pvap	1971.86	kPa	618.23	Calculated Property
Pvap	3376.53	kPa	664.53	Calculated Property
Pvap	[6.40; 104.00]	kPa	[363.48; 450.28]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41971e+01
Coefficient B			-3.67022e+03
Coefficient C			-6.60720e+01
Reference			Forziati, Norris, et al., 1949, 2
Temperature range, min.			363.48
Temperature range, max.			450.28
Pvap	6.40	kPa	363.48	Calculated Property
Pvap	9.43	kPa	373.12	Calculated Property
Pvap	13.57	kPa	382.77	Calculated Property
Pvap	19.12	kPa	392.41	Calculated Property
Pvap	26.40	kPa	402.06	Calculated Property
Pvap	35.81	kPa	411.70	Calculated Property
Pvap	47.77	kPa	421.35	Calculated Property
Pvap	62.77	kPa	430.99	Calculated Property
Pvap	81.32	kPa	440.64	Calculated Property
Pvap	104.00	kPa	450.28	Calculated Property
Pvap	[6.40; 104.00]	kPa	[363.48; 450.28]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41971e+01
Coefficient B			-3.67022e+03
Coefficient C			-6.60720e+01
Reference			Forziati, Norris, et al., 1949
Temperature range, min.			363.48
Temperature range, max.			450.28
Pvap	6.40	kPa	363.48	Calculated Property
Pvap	9.43	kPa	373.12	Calculated Property
Pvap	13.57	kPa	382.77	Calculated Property
Pvap	19.12	kPa	392.41	Calculated Property
Pvap	26.40	kPa	402.06	Calculated Property
Pvap	35.81	kPa	411.70	Calculated Property
Pvap	47.77	kPa	421.35	Calculated Property
Pvap	62.77	kPa	430.99	Calculated Property
Pvap	81.32	kPa	440.64	Calculated Property
Pvap	104.00	kPa	450.28	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[929.68; 320.35]	kg/m3	[243.15; 664.15]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			5.65874e+01
Coefficient B			2.29350e-01
Coefficient C			6.64500e+02
Coefficient D			2.29140e-01
Temperature range, min.			243.15
Temperature range, max.			664.15
ρl	929.68	kg/m3	243.15	Calculated Property
ρl	897.44	kg/m3	289.93	Calculated Property
ρl	863.22	kg/m3	336.71	Calculated Property
ρl	826.55	kg/m3	383.48	Calculated Property
ρl	786.71	kg/m3	430.26	Calculated Property
ρl	742.59	kg/m3	477.04	Calculated Property
ρl	692.29	kg/m3	523.82	Calculated Property
ρl	631.90	kg/m3	570.59	Calculated Property
ρl	550.77	kg/m3	617.37	Calculated Property
ρl	320.35	kg/m3	664.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 0.01]	N/m	[247.75; 449.25]	Jasper (1972), surface tension of pure liquid compounds Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K
Coefficient A			5.93176e-02
Coefficient B			-1.04000e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			247.75
Temperature range, max.			449.25
γ	0.03	N/m	247.75	Calculated Property
γ	0.03	N/m	270.14	Calculated Property
γ	0.03	N/m	292.53	Calculated Property
γ	0.03	N/m	314.92	Calculated Property
γ	0.02	N/m	337.31	Calculated Property
γ	0.02	N/m	359.69	Calculated Property
γ	0.02	N/m	382.08	Calculated Property
γ	0.02	N/m	404.47	Calculated Property
γ	0.01	N/m	426.86	Calculated Property
γ	0.01	N/m	449.25	Calculated Property
γ	[0.04; 9.53e-04]	N/m	[247.79; 642.57]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K
Coefficient A			-4.59390e-03
Coefficient B			5.47150e+02
Coefficient C			-7.54430e+00
Coefficient D			1.26410e-02
Coefficient E			-1.60440e-05
Temperature range, min.			247.79
Temperature range, max.			642.57
γ	0.04	N/m	247.79	Calculated Property
γ	0.03	N/m	291.65	Calculated Property
γ	0.03	N/m	335.52	Calculated Property
γ	0.02	N/m	379.38	Calculated Property
γ	0.02	N/m	423.25	Calculated Property
γ	0.01	N/m	467.11	Calculated Property
γ	0.01	N/m	510.98	Calculated Property
γ	0.01	N/m	554.84	Calculated Property
γ	0.00	N/m	598.71	Calculated Property
γ	9.53e-04	N/m	642.57	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.01; 0.08]	W/m×K	[247.79; 1000.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K
Coefficient A			9.33030e-05
Coefficient B			1.04190e+00
Coefficient C			5.39240e+02
Coefficient D			5.65450e+04
Temperature range, min.			247.79
Temperature range, max.			1000.00
λgas	0.01	W/m×K	247.79	Calculated Property
λgas	0.01	W/m×K	331.37	Calculated Property
λgas	0.02	W/m×K	414.95	Calculated Property
λgas	0.03	W/m×K	498.53	Calculated Property
λgas	0.03	W/m×K	582.11	Calculated Property
λgas	0.04	W/m×K	665.68	Calculated Property
λgas	0.05	W/m×K	749.26	Calculated Property
λgas	0.06	W/m×K	832.84	Calculated Property
λgas	0.07	W/m×K	916.42	Calculated Property
λgas	0.08	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.14; 0.08]	W/m×K	[247.79; 603.15]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is λliquid in W/m×K, T in K
Coefficient A			6.62670e-02
Coefficient B			3.03460e+02
Coefficient C			-5.21630e+00
Coefficient D			9.27310e-03
Coefficient E			-1.48250e-05
Temperature range, min.			247.79
Temperature range, max.			603.15
λliquid	0.14	W/m×K	247.79	Calculated Property
λliquid	0.13	W/m×K	287.27	Calculated Property
λliquid	0.12	W/m×K	326.76	Calculated Property
λliquid	0.12	W/m×K	366.24	Calculated Property
λliquid	0.11	W/m×K	405.73	Calculated Property
λliquid	0.10	W/m×K	445.21	Calculated Property
λliquid	0.09	W/m×K	484.70	Calculated Property
λliquid	0.09	W/m×K	524.18	Calculated Property
λliquid	0.08	W/m×K	563.67	Calculated Property
λliquid	0.08	W/m×K	603.15	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,2,3-trimethyl-.

Sources

• KDB Vapor Pressure Data
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 3 ChEDL chemicals 1.5.2, from Tsonopoulos, C.; Ambrose, D. Vapor-Liquid Critical Properties of Elements and Compounds. 3. Aromatic Hydrocarbons. J. Chem. Eng. Data 1995, 40, 547-558.
• Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
• Passut and Danner (1973), critical constants and acentric factors ChEDL chemicals 1.5.2, from Passut, C. A.; Danner, R. P. Acentric Factor. A Valuable Correlating Parameter for the Properties of Hydrocarbons. Ind. Eng. Chem. Process Des. Dev. 1973, 12, 365-368.
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Crippen Method
• Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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