Chemical Properties of Benzene, 1,2,4,5-tetramethyl- (CAS 95-93-2)

InChI

InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3

InChI Key

SQNZJJAZBFDUTD-UHFFFAOYSA-N

Formula

C10H14

SMILES

Cc1cc(C)c(C)cc1C

Molecular Weight¹

134.22

CAS

95-93-2

Other Names

• 1,2,4,5-tetramethylbenzene
• Durol
• durene
• p-Xylene, 2,5-dimethyl-

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• Δ_cH°_solid : Standard solid 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).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• Δ_fG° : Standard Gibbs free energy of formation (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_fH°_solid : Solid 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation 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).
• 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°_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	[0.4168; 0.4350]
ω	0.4168		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.4255		Passut and Danner (1973), critical constants and acentric factors Compiled value
ω	0.4230		ChemSep v8.3 pure component data Compiled value
ω	0.4350		KDB
ΔcH°liquid	[-5837.30; -5809.10]	kJ/mol
ΔcH°liquid	-5837.30 ± 3.00	kJ/mol	NIST
ΔcH°liquid	-5809.10 ± 5.90	kJ/mol	NIST
ΔcH°solid	[-5816.10; -5814.20]	kJ/mol
ΔcH°solid	-5814.20 ± 1.40	kJ/mol	NIST
ΔcH°solid	-5816.10 ± 1.20	kJ/mol	NIST
μ	0.00	debye	ChemSep v8.3 pure component data Compiled value
EA	0.05 ± 0.02	eV	NIST
ΔfG°	[117.70; 119.50]	kJ/mol
ΔfG°	117.70	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfG°	119.50	kJ/mol	KDB
ΔfH°gas	[-47.10; -45.27]	kJ/mol
ΔfH°gas	-45.27	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-45.30	kJ/mol	KDB
ΔfH°gas	-47.10 ± 1.90	kJ/mol	NIST
ΔfH°gas	-46.90 ± 1.80	kJ/mol	NIST
ΔfH°gas	-45.30	kJ/mol	NIST
ΔfH°liquid	-98.70 ± 3.00	kJ/mol	NIST
ΔfH°solid	[-121.70; -119.90]	kJ/mol
ΔfH°solid	-121.70 ± 1.90	kJ/mol	NIST
ΔfH°solid	-119.90 ± 1.30	kJ/mol	NIST
ΔfusH°	14.53	kJ/mol	Joback Calculated Property
ΔsubH°	[71.69; 74.60]	kJ/mol
ΔsubH°	71.69 ± 0.29	kJ/mol	NIST
ΔsubH°	71.70 ± 0.30	kJ/mol	NIST
ΔsubH°	74.60 ± 0.30	kJ/mol	NIST
ΔsubH°	74.60	kJ/mol	NIST
ΔsubH°	74.60 ± 0.30	kJ/mol	NIST
ΔsubH°	72.40	kJ/mol	NIST
ΔvapH°	55.69	kJ/mol	Relay (1.0) Calculated Property
IE	[8.03; 8.50]	eV
IE	8.06 ± 0.03	eV	NIST
IE	8.07	eV	NIST
IE	Outlier 8.50 ± 0.05	eV	NIST
IE	8.03 ± 0.01	eV	NIST
IE	8.03	eV	NIST
IE	8.20	eV	NIST
IE	8.37	eV	NIST
IE	8.05 ± 0.02	eV	NIST
IE	8.05	eV	NIST
IE	8.13	eV	NIST
IE	8.05	eV	NIST
log10WS	[-4.59; -4.59]
log10WS	-4.59		Aq. Solubility Prediction
log10WS	-4.59		Estimated Solubility
logPoct/wat	2.920		Crippen Calculated Property
McVol	128.000	ml/mol	McGowan Calculated Property
Pc	[2897.90; 2964.75]	kPa
Pc	2900.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 3 Compiled value
Pc	2900.00	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	Outlier 2964.75	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc	2900.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	2900.00	kPa	KDB
Pc	2900.00	kPa	NIST
Pc	2897.90 ± 151.99	kPa	NIST
Ptriple	1.78	kPa	ChemSep v8.3 pure component data Compiled value
Inp	[1093.00; 1147.00]
Inp	1124.70		NIST
Inp	1132.40		NIST
Inp	1109.30		NIST
Inp	1126.00		NIST
Inp	1116.70		NIST
Inp	1093.00		NIST
Inp	1093.00		NIST
Inp	1106.00		NIST
Inp	1106.00		NIST
Inp	1106.10		NIST
Inp	1105.60		NIST
Inp	1106.50		NIST
Inp	1106.00		NIST
Inp	1113.00		NIST
Inp	Outlier 1142.00		NIST
Inp	1106.00		NIST
Inp	1106.00		NIST
Inp	1106.00		NIST
Inp	1107.00		NIST
Inp	1107.00		NIST
Inp	1107.00		NIST
Inp	1125.00		NIST
Inp	1105.00		NIST
Inp	1107.00		NIST
Inp	1105.00		NIST
Inp	1108.00		NIST
Inp	1100.00		NIST
Inp	1096.40		NIST
Inp	1118.00		NIST
Inp	1100.00		NIST
Inp	1107.00		NIST
Inp	1114.00		NIST
Inp	1121.00		NIST
Inp	1102.80		NIST
Inp	1105.90		NIST
Inp	1107.20		NIST
Inp	1114.40		NIST
Inp	1121.20		NIST
Inp	1106.00		NIST
Inp	1102.80		NIST
Inp	1105.90		NIST
Inp	1107.00		NIST
Inp	1099.53		NIST
Inp	1124.00		NIST
Inp	1128.00		NIST
Inp	1134.00		NIST
Inp	1094.90		NIST
Inp	Outlier 1145.00		NIST
Inp	1123.00		NIST
Inp	1114.20		NIST
Inp	Outlier 1147.00		NIST
Inp	1104.85		NIST
Inp	1108.00		NIST
Inp	1129.00		NIST
Inp	1109.00		NIST
Inp	1117.00		NIST
Inp	1109.40		NIST
Inp	1109.70		NIST
Inp	1114.10		NIST
Inp	1115.80		NIST
Inp	1130.20		NIST
Inp	Outlier 1140.00		NIST
Inp	1097.90		NIST
Inp	1101.20		NIST
Inp	1109.70		NIST
Inp	1114.10		NIST
Inp	1115.80		NIST
Inp	1101.84		NIST
Inp	1102.07		NIST
Inp	1102.00		NIST
Inp	1099.00		NIST
Inp	1099.00		NIST
Inp	1110.08		NIST
Inp	1107.00		NIST
Inp	1121.00		NIST
Inp	1107.00		NIST
Inp	1107.00		NIST
Inp	1114.00		NIST
Inp	1114.00		NIST
Inp	1111.00		NIST
Inp	1103.00		NIST
Inp	1111.00		NIST
Inp	1117.00		NIST
Inp	1113.00		NIST
Inp	1111.00		NIST
Inp	1109.00		NIST
Inp	1116.00		NIST
Inp	1118.00		NIST
Inp	1112.00		NIST
Inp	1101.00		NIST
Inp	1100.00		NIST
Inp	1123.20		NIST
Inp	1113.00		NIST
Inp	1098.00		NIST
Inp	1102.00		NIST
Inp	1130.00		NIST
Inp	1119.00		NIST
Inp	1131.00		NIST
Inp	1096.00		NIST
Inp	1107.00		NIST
Inp	Outlier 1146.00		NIST
Inp	1096.00		NIST
Inp	1108.00		NIST
Inp	1104.00		NIST
Inp	1106.00		NIST
Inp	1095.00		NIST
Inp	1103.00		NIST
Inp	1100.00		NIST
Ip	[1400.00; 1480.30]
Ip	1447.30		NIST
Ip	1463.00		NIST
Ip	Outlier 1480.30		NIST
Ip	1406.80		NIST
Ip	1401.30		NIST
Ip	1445.80		NIST
Ip	1419.00		NIST
Ip	1417.00		NIST
Ip	1438.00		NIST
Ip	1432.00		NIST
Ip	1433.00		NIST
Ip	1440.00		NIST
Ip	1400.00		NIST
Ip	1411.00		NIST
Ip	1407.00		NIST
Ip	1416.00		NIST
Ip	1435.00		NIST
Ip	1435.00		NIST
Ip	1459.00		NIST
Ip	1446.00		NIST
Ip	1447.30		NIST
Ip	1445.80		NIST
S°liquid	245.60	J/mol×K	NIST
Tboil	[465.00; 472.70]	K
Tboil	470.00	K	ChemSep v8.3 pure component data Compiled value
Tboil	469.99	K	KDB
Tboil	470.20	K	NIST
Tboil	469.15 ± 0.50	K	NIST
Tboil	470.00 ± 0.30	K	NIST
Tboil	469.85 ± 0.30	K	NIST
Tboil	470.00 ± 0.30	K	NIST
Tboil	472.70 ± 2.00	K	NIST
Tboil	Outlier 465.00 ± 3.00	K	NIST
Tc	[675.37; 676.00]	K
Tc	676.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 3 Compiled value
Tc	676.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	Outlier 675.37	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc	676.00	K	ChemSep v8.3 pure component data Compiled value
Tc	676.00	K	KDB
Tc	676.00	K	NIST
Tc	675.65 ± 2.00	K	NIST
Tfus	[351.65; 353.40]	K
Tfus	352.30	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	352.38	K	ChemSep v8.3 pure component data Compiled value
Tfus	352.40	K	KDB
Tfus	352.58	K	Aq. Solubility Prediction
Tfus	Outlier 351.65 ± 0.60	K	NIST
Tfus	353.00 ± 3.00	K	NIST
Tfus	Outlier 353.40 ± 2.00	K	NIST
Tfus	352.32 ± 0.06	K	NIST
Tfus	352.35 ± 0.04	K	NIST
Tfus	352.39 ± 0.03	K	NIST
Tfus	352.35 ± 0.40	K	NIST
Tfus	352.24 ± 0.20	K	NIST
Tfus	352.95 ± 1.00	K	NIST
Tfus	352.40 ± 0.20	K	NIST
Tfus	353.00 ± 2.00	K	NIST
Tfus	353.15 ± 2.00	K	NIST
Tfus	352.10 ± 0.40	K	NIST
Tfus	352.50 ± 1.00	K	NIST
Tfus	352.43 ± 0.07	K	NIST
Tfus	353.15 ± 1.50	K	NIST
Ttriple	352.38	K	ChemSep v8.3 pure component data Compiled value
UQi	4.67		ChemSep v8.3 pure component data Compiled value
URi	6.13		ChemSep v8.3 pure component data Compiled value
Vc	[0.480; 0.482]	m3/kmol
Vc	0.480	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.482	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	0.2490000		ChemSep v8.3 pure component data Compiled value
Zra	0.25		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[215.10; 303.00]	J/mol×K	[297.10; 470.00]
Cp,liquid	215.10	J/mol×K	297.10	NIST
Cp,liquid	220.10	J/mol×K	298.10	NIST
Cp,liquid	275.70	J/mol×K	353.00	NIST
Cp,liquid	268.00	J/mol×K	360.00	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	271.00	J/mol×K	370.00	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	275.00	J/mol×K	380.00	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	278.00	J/mol×K	390.00	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	281.00	J/mol×K	400.00	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	284.00	J/mol×K	410.00	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	287.00	J/mol×K	420.00	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	290.00	J/mol×K	430.00	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	294.00	J/mol×K	440.00	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	297.00	J/mol×K	450.00	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	300.00	J/mol×K	460.00	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	303.00	J/mol×K	470.00	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,solid	[204.02; 215.60]	J/mol×K	[298.15; 303.15]
Cp,solid	204.02	J/mol×K	298.15	NIST
Cp,solid	215.60	J/mol×K	303.15	NIST
ΔfusH	[20.88; 21.34]	kJ/mol	[352.05; 352.40]
ΔfusH	21.34	kJ/mol	352.05	NIST
ΔfusH	20.88	kJ/mol	352.40	NIST
ΔfusH	20.88	kJ/mol	352.40	NIST
ΔfusH	20.88	kJ/mol	352.40	NIST
ΔsubH	71.30	kJ/mol	333.00	NIST
ΔvapH	[45.52; 49.40]	kJ/mol	[372.00; 470.00]
ΔvapH	47.70 ± 0.30	kJ/mol	372.00	NIST
ΔvapH	49.40	kJ/mol	426.50	NIST
ΔvapH	45.52	kJ/mol	470.00	KDB
n0	1.50930		298.15	KDB
ρl	838.00	kg/m3	354.00	KDB
ΔfusS	59.30	J/mol×K	352.40	NIST
γ	0.02	N/m	373.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[139.41; 477.54]	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			1.10940e+02
Coefficient B			-5.62530e+02
Coefficient C			6.11124e+00
Coefficient D			2.72070e-04
Coefficient E			-1.06690e-07
Temperature range, min.			200.00
Temperature range, max.			1500.00
Cp,gas	139.41	J/mol×K	200.00	Calculated Property
Cp,gas	206.44	J/mol×K	344.44	Calculated Property
Cp,gas	269.82	J/mol×K	488.89	Calculated Property
Cp,gas	322.09	J/mol×K	633.33	Calculated Property
Cp,gas	364.36	J/mol×K	777.78	Calculated Property
Cp,gas	398.50	J/mol×K	922.22	Calculated Property
Cp,gas	425.98	J/mol×K	1066.67	Calculated Property
Cp,gas	447.84	J/mol×K	1211.11	Calculated Property
Cp,gas	464.84	J/mol×K	1355.56	Calculated Property
Cp,gas	477.54	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[272.91; 316.76]	J/mol×K	[352.15; 473.15]	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			1.39940e+02
Coefficient B			1.16910e+03
Coefficient C			-5.61006e+00
Coefficient D			2.85900e-02
Coefficient E			-2.32860e-05
Temperature range, min.			352.15
Temperature range, max.			473.15
Cp,liquid	272.91	J/mol×K	352.15	Calculated Property
Cp,liquid	278.00	J/mol×K	365.59	Calculated Property
Cp,liquid	283.33	J/mol×K	379.04	Calculated Property
Cp,liquid	288.76	J/mol×K	392.48	Calculated Property
Cp,liquid	294.18	J/mol×K	405.93	Calculated Property
Cp,liquid	299.46	J/mol×K	419.37	Calculated Property
Cp,liquid	304.48	J/mol×K	432.82	Calculated Property
Cp,liquid	309.11	J/mol×K	446.26	Calculated Property
Cp,liquid	313.25	J/mol×K	459.71	Calculated Property
Cp,liquid	316.76	J/mol×K	473.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005181; 0.0000929]	Pa×s	[352.38; 573.00]	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			-9.41750e+00
Coefficient B			1.45280e+03
Coefficient C			-3.93410e-01
Coefficient D			2.94690e-07
Coefficient E			2.00000e+00
Temperature range, min.			352.38
Temperature range, max.			573.00
η	0.0005181	Pa×s	352.38	Calculated Property
η	0.0003879	Pa×s	376.89	Calculated Property
η	0.0003008	Pa×s	401.41	Calculated Property
η	0.0002400	Pa×s	425.92	Calculated Property
η	0.0001962	Pa×s	450.43	Calculated Property
η	0.0001638	Pa×s	474.95	Calculated Property
η	0.0001392	Pa×s	499.46	Calculated Property
η	0.0001201	Pa×s	523.97	Calculated Property
η	0.0001050	Pa×s	548.49	Calculated Property
η	0.0000929	Pa×s	573.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[54.11; 14.29]	kJ/mol	[298.15; 658.97]	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			1.60771e+02
Coefficient B			4.91520e+00
Coefficient C			-1.03767e+01
Coefficient D			9.30389e+00
Coefficient E			-3.22080e+00
Critical temperature, Tc (K)			6.76000e+02
Temperature range, min.			298.15
Temperature range, max.			658.97
ΔvapH	54.11	kJ/mol	298.15	Calculated Property
ΔvapH	51.20	kJ/mol	338.24	Calculated Property
ΔvapH	48.65	kJ/mol	378.33	Calculated Property
ΔvapH	46.17	kJ/mol	418.42	Calculated Property
ΔvapH	43.52	kJ/mol	458.51	Calculated Property
ΔvapH	40.49	kJ/mol	498.61	Calculated Property
ΔvapH	36.83	kJ/mol	538.70	Calculated Property
ΔvapH	32.18	kJ/mol	578.79	Calculated Property
ΔvapH	25.71	kJ/mol	618.88	Calculated Property
ΔvapH	14.29	kJ/mol	658.97	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[346.65; 500.25]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47415e+01
Coefficient B			-4.16711e+03
Coefficient C			-5.83480e+01
Temperature range, min.			346.65
Temperature range, max.			500.25
Pvap	1.33	kPa	346.65	Calculated Property
Pvap	2.99	kPa	363.72	Calculated Property
Pvap	6.16	kPa	380.78	Calculated Property
Pvap	11.79	kPa	397.85	Calculated Property
Pvap	21.22	kPa	414.92	Calculated Property
Pvap	36.18	kPa	431.98	Calculated Property
Pvap	58.90	kPa	449.05	Calculated Property
Pvap	92.04	kPa	466.12	Calculated Property
Pvap	138.76	kPa	483.18	Calculated Property
Pvap	202.66	kPa	500.25	Calculated Property
Pvap	[1.34; 2910.32]	kPa	[346.75; 676.00]	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			8.91202e+01
Coefficient B			-9.35570e+03
Coefficient C			-1.06760e+01
Coefficient D			4.95090e-06
Coefficient E			2.00000e+00
Temperature range, min.			346.75
Temperature range, max.			676.00
Pvap	1.34	kPa	346.75	Calculated Property
Pvap	6.90	kPa	383.33	Calculated Property
Pvap	25.27	kPa	419.92	Calculated Property
Pvap	72.39	kPa	456.50	Calculated Property
Pvap	172.72	kPa	493.08	Calculated Property
Pvap	359.00	kPa	529.67	Calculated Property
Pvap	671.79	kPa	566.25	Calculated Property
Pvap	1159.77	kPa	602.83	Calculated Property
Pvap	1881.68	kPa	639.42	Calculated Property
Pvap	2910.32	kPa	676.00	Calculated Property
Pvap	[1.75; 2909.70]	kPa	[352.38; 675.15]	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			1.09017e+02
Coefficient B			-1.02916e+04
Coefficient C			-1.36620e+01
Coefficient D			7.04044e-06
Coefficient E			0.00000e+00
Temperature range, min.			352.38
Temperature range, max.			675.15
Pvap	1.75	kPa	352.38	Calculated Property
Pvap	8.35	kPa	388.24	Calculated Property
Pvap	28.84	kPa	424.11	Calculated Property
Pvap	78.90	kPa	459.97	Calculated Property
Pvap	181.65	kPa	495.83	Calculated Property
Pvap	367.79	kPa	531.70	Calculated Property
Pvap	676.14	kPa	567.56	Calculated Property
Pvap	1155.94	kPa	603.42	Calculated Property
Pvap	1871.46	kPa	639.29	Calculated Property
Pvap	2909.70	kPa	675.15	Calculated Property
Pvap	[0.14; 95.00]	kPa	[318.00; 469.10]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.13296e+01
Coefficient B			-2.09135e+03
Coefficient C			-1.60447e+02
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			318.00
Temperature range, max.			469.10
Pvap	0.14	kPa	318.00	Calculated Property
Pvap	0.51	kPa	334.79	Calculated Property
Pvap	1.47	kPa	351.58	Calculated Property
Pvap	3.57	kPa	368.37	Calculated Property
Pvap	7.56	kPa	385.16	Calculated Property
Pvap	14.44	kPa	401.94	Calculated Property
Pvap	25.35	kPa	418.73	Calculated Property
Pvap	41.55	kPa	435.52	Calculated Property
Pvap	64.34	kPa	452.31	Calculated Property
Pvap	95.00	kPa	469.10	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[891.55; 367.60]	kg/m3	[288.15; 676.00]	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			8.82874e+01
Coefficient B			2.84610e-01
Coefficient C			6.77160e+02
Coefficient D			3.14290e-01
Comment			Range stopped at Tc; ChemSep gives it to 677.15 K.
Temperature range, min.			288.15
Temperature range, max.			676.00
ρl	891.55	kg/m3	288.15	Calculated Property
ρl	858.09	kg/m3	331.24	Calculated Property
ρl	823.07	kg/m3	374.34	Calculated Property
ρl	786.09	kg/m3	417.43	Calculated Property
ρl	746.61	kg/m3	460.53	Calculated Property
ρl	703.73	kg/m3	503.62	Calculated Property
ρl	655.96	kg/m3	546.72	Calculated Property
ρl	600.30	kg/m3	589.81	Calculated Property
ρl	528.69	kg/m3	632.91	Calculated Property
ρl	367.60	kg/m3	676.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 6.31e-04]	N/m	[352.38; 658.97]	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			-2.23080e-02
Coefficient B			-4.03030e+01
Coefficient C			-2.24670e+00
Coefficient D			-1.60200e-03
Coefficient E			-9.47350e-07
Temperature range, min.			352.38
Temperature range, max.			658.97
γ	0.03	N/m	352.38	Calculated Property
γ	0.02	N/m	386.45	Calculated Property
γ	0.02	N/m	420.51	Calculated Property
γ	0.02	N/m	454.58	Calculated Property
γ	0.01	N/m	488.64	Calculated Property
γ	0.01	N/m	522.71	Calculated Property
γ	0.01	N/m	556.77	Calculated Property
γ	0.01	N/m	590.84	Calculated Property
γ	0.00	N/m	624.90	Calculated Property
γ	6.31e-04	N/m	658.97	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.01; 0.07]	W/m×K	[352.38; 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			6.60620e-05
Coefficient B			1.06490e+00
Coefficient C			3.06100e+02
Coefficient D			9.38500e+04
Temperature range, min.			352.38
Temperature range, max.			1000.00
λgas	0.01	W/m×K	352.38	Calculated Property
λgas	0.02	W/m×K	424.34	Calculated Property
λgas	0.02	W/m×K	496.30	Calculated Property
λgas	0.03	W/m×K	568.26	Calculated Property
λgas	0.04	W/m×K	640.21	Calculated Property
λgas	0.04	W/m×K	712.17	Calculated Property
λgas	0.05	W/m×K	784.13	Calculated Property
λgas	0.06	W/m×K	856.09	Calculated Property
λgas	0.07	W/m×K	928.04	Calculated Property
λgas	0.07	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.13; 0.08]	W/m×K	[352.38; 613.15]	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			2.30240e-02
Coefficient B			-3.50010e+02
Coefficient C			1.94600e-01
Coefficient D			-4.44190e-03
Coefficient E			6.78220e-07
Temperature range, min.			352.38
Temperature range, max.			613.15
λliquid	0.13	W/m×K	352.38	Calculated Property
λliquid	0.12	W/m×K	381.35	Calculated Property
λliquid	0.12	W/m×K	410.33	Calculated Property
λliquid	0.11	W/m×K	439.30	Calculated Property
λliquid	0.11	W/m×K	468.28	Calculated Property
λliquid	0.10	W/m×K	497.25	Calculated Property
λliquid	0.10	W/m×K	526.23	Calculated Property
λliquid	0.09	W/m×K	555.20	Calculated Property
λliquid	0.09	W/m×K	584.18	Calculated Property
λliquid	0.08	W/m×K	613.15	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,2,4,5-tetramethyl-.

Mixtures

• Benzene, 1,2,4,5-tetramethyl- + Methyl Alcohol
• Ethanol + Benzene, 1,2,4,5-tetramethyl-

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.
• 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.
• Cheméo Relay (1.0)
• 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
• Modified solution calorimetry approach for determination of vaporization and sublimation enthalpies of branched-chain aliphatic and alkyl aromatic compounds at T = 298.15 K
• Vapor-Liquid Equilibrium of Durene in Methanol or Ethanol
• 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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