Chemical Properties of Benzene, 1,2,3,5-tetramethyl- (CAS 527-53-7)

InChI

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

InChI Key

BFIMMTCNYPIMRN-UHFFFAOYSA-N

Formula

C10H14

SMILES

Cc1cc(C)c(C)c(C)c1

Molecular Weight¹

134.22

CAS

527-53-7

Other Names

• 1,2,3,5-Tetramethyl benzene
• 1,2,3,5-Tetramethylbenzene
• Isodurene

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• 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_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).
• 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.
• 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	[0.4051; 0.4591]
ω	0.4051		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.4591		ChemSep v8.3 pure component data Compiled value
ω	0.4120		KDB
PAff	845.60	kJ/mol	NIST
BasG	816.50	kJ/mol	NIST
ΔcH°liquid	[-5839.60; -5815.30]	kJ/mol
ΔcH°liquid	-5839.60 ± 1.10	kJ/mol	NIST
ΔcH°liquid	-5837.50 ± 3.00	kJ/mol	NIST
ΔcH°liquid	-5815.30 ± 5.90	kJ/mol	NIST
EA	0.11 ± 0.01	eV	NIST
ΔfG°	[118.80; 123.10]	kJ/mol
ΔfG°	123.10	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfG°	118.80	kJ/mol	KDB
ΔfH°gas	[-46.50; -40.54]	kJ/mol
ΔfH°gas	-40.54	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-44.84	kJ/mol	KDB
ΔfH°gas	-43.20 ± 1.30	kJ/mol	NIST
ΔfH°gas	-44.40 ± 1.20	kJ/mol	NIST
ΔfH°gas	-46.50 ± 3.00	kJ/mol	NIST
ΔfH°liquid	[-98.50; -96.40]	kJ/mol
ΔfH°liquid	-96.40 ± 1.20	kJ/mol	NIST
ΔfH°liquid	-98.50 ± 3.00	kJ/mol	NIST
ΔfusH°	14.53	kJ/mol	Joback Calculated Property
ΔvapH°	[51.98; 55.80]	kJ/mol
ΔvapH°	53.20	kJ/mol	NIST
ΔvapH°	51.98 ± 0.17	kJ/mol	NIST
ΔvapH°	52.00 ± 0.20	kJ/mol	NIST
ΔvapH°	55.80	kJ/mol	NIST
IE	[8.07; 8.47]	eV
IE	8.47 ± 0.05	eV	NIST
IE	8.07	eV	NIST
IE	8.30 ± 0.03	eV	NIST
log10WS	-3.91		Relay (1.0) Calculated Property
logPoct/wat	2.920		Crippen Calculated Property
McVol	128.000	ml/mol	McGowan Calculated Property
Pc	[2841.15; 3220.00]	kPa
Pc	2841.15	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	3220.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	2870.00	kPa	KDB
Ptriple	8.86e-04	kPa	ChemSep v8.3 pure component data Compiled value
Inp	[1096.00; 1154.00]
Inp	1129.00		NIST
Inp	1137.00		NIST
Inp	1113.50		NIST
Inp	1121.30		NIST
Inp	1096.00		NIST
Inp	1096.00		NIST
Inp	1109.00		NIST
Inp	1109.00		NIST
Inp	1109.00		NIST
Inp	1109.00		NIST
Inp	1110.00		NIST
Inp	1099.50		NIST
Inp	1104.00		NIST
Inp	1110.00		NIST
Inp	1118.00		NIST
Inp	1125.00		NIST
Inp	1108.40		NIST
Inp	1111.40		NIST
Inp	1110.50		NIST
Inp	1117.50		NIST
Inp	1125.00		NIST
Inp	1108.00		NIST
Inp	1108.40		NIST
Inp	1111.40		NIST
Inp	1113.00		NIST
Inp	1105.05		NIST
Inp	1137.00		NIST
Inp	1140.00		NIST
Inp	Outlier 1145.00		NIST
Inp	1139.00		NIST
Inp	Outlier 1144.00		NIST
Inp	Outlier 1149.00		NIST
Inp	Outlier 1150.00		NIST
Inp	1097.70		NIST
Inp	Outlier 1151.00		NIST
Inp	1123.00		NIST
Inp	1118.10		NIST
Inp	1103.00		NIST
Inp	Outlier 1154.00		NIST
Inp	1108.80		NIST
Inp	1112.00		NIST
Inp	1133.00		NIST
Inp	1105.00		NIST
Inp	1113.00		NIST
Inp	1113.00		NIST
Inp	1104.26		NIST
Inp	1104.97		NIST
Inp	1104.00		NIST
Inp	1102.00		NIST
Inp	1102.00		NIST
Inp	1103.00		NIST
Inp	1112.85		NIST
Inp	1110.00		NIST
Inp	1110.00		NIST
Inp	1117.00		NIST
Inp	1118.00		NIST
Inp	1122.00		NIST
Inp	1116.00		NIST
Inp	1107.00		NIST
Inp	1116.00		NIST
Inp	1122.00		NIST
Inp	1113.00		NIST
Inp	1114.00		NIST
Inp	1115.00		NIST
Inp	1113.00		NIST
Inp	1119.00		NIST
Inp	1121.00		NIST
Inp	1115.00		NIST
Inp	1104.00		NIST
Inp	1108.00		NIST
Inp	1103.00		NIST
Inp	1127.90		NIST
Inp	1116.00		NIST
Inp	1100.00		NIST
Inp	1123.00		NIST
Inp	1137.00		NIST
Inp	1100.00		NIST
Inp	1107.00		NIST
Inp	1104.00		NIST
Inp	1109.00		NIST
Inp	1106.00		NIST
Inp	1114.00		NIST
Inp	1115.00		NIST
Inp	1116.00		NIST
Inp	1110.00		NIST
Inp	1112.85		NIST
Inp	1129.00		NIST
Inp	1096.00		NIST
Inp	1125.00		NIST
Inp	1105.05		NIST
Inp	Outlier 1144.00		NIST
Inp	1123.00		NIST
Inp	1108.80		NIST
Ip	[1395.00; 1474.50]
Ip	1456.30		NIST
Ip	1474.50		NIST
Ip	1395.00		NIST
Ip	1416.50		NIST
Ip	1410.50		NIST
Ip	1455.80		NIST
Ip	1430.00		NIST
Ip	1447.00		NIST
Ip	1441.00		NIST
Ip	1443.00		NIST
Ip	1422.00		NIST
Ip	1416.00		NIST
Ip	1422.00		NIST
Ip	1456.30		NIST
Ip	1455.80		NIST
S°liquid	310.00	J/mol×K	NIST
Tboil	[461.07; 473.10]	K
Tboil	471.15	K	ChemSep v8.3 pure component data Compiled value
Tboil	471.30	K	KDB
Tboil	471.20	K	NIST
Tboil	471.25 ± 0.50	K	NIST
Tboil	470.40 ± 1.50	K	NIST
Tboil	468.70 ± 1.00	K	NIST
Tboil	471.30 ± 0.30	K	NIST
Tboil	471.30 ± 0.30	K	NIST
Tboil	468.70 ± 3.00	K	NIST
Tboil	468.00 ± 4.00	K	NIST
Tboil	471.30 ± 0.30	K	NIST
Tboil	471.30 ± 0.30	K	NIST
Tboil	471.11 ± 0.30	K	NIST
Tboil	470.70 ± 1.00	K	NIST
Tboil	471.04 ± 0.30	K	NIST
Tboil	471.04 ± 0.30	K	NIST
Tboil	471.07 ± 0.15	K	NIST
Tboil	473.10 ± 2.00	K	NIST
Tboil	471.07 ± 0.20	K	NIST
Tboil	470.98 ± 0.30	K	NIST
Tboil	Outlier 461.07 ± 0.40	K	NIST
Tboil	469.00 ± 3.00	K	NIST
Tc	[679.00; 679.00]	K
Tc	679.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	679.00	K	ChemSep v8.3 pure component data Compiled value
Tc	679.00	K	KDB
Tfus	[245.78; 249.95]	K
Tfus	249.30	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	249.46	K	ChemSep v8.3 pure component data Compiled value
Tfus	249.00	K	KDB
Tfus	249.42 ± 0.03	K	NIST
Tfus	249.45 ± 0.02	K	NIST
Tfus	249.46 ± 0.01	K	NIST
Tfus	249.34 ± 0.20	K	NIST
Tfus	249.38 ± 0.20	K	NIST
Tfus	249.04 ± 0.30	K	NIST
Tfus	248.94 ± 0.40	K	NIST
Tfus	249.95 ± 0.20	K	NIST
Tfus	249.03 ± 0.50	K	NIST
Tfus	249.30 ± 0.30	K	NIST
Tfus	Outlier 245.78 ± 0.50	K	NIST
Tfus	249.20 ± 1.00	K	NIST
Tfus	249.00 ± 0.20	K	NIST
Ttriple	[248.60; 249.46]	K
Ttriple	249.46	K	ChemSep v8.3 pure component data Compiled value
Ttriple	248.60 ± 0.30	K	NIST
Ttriple	248.60 ± 0.30	K	NIST
UQi	4.67		ChemSep v8.3 pure component data Compiled value
URi	6.13		ChemSep v8.3 pure component data Compiled value
Vc	[0.436; 0.487]	m3/kmol
Vc	0.436	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.436	m3/kmol	ChemSep v8.3 pure component data Compiled value
Vc	0.487	m3/kmol	KDB
Zc	[0.2478280; 0.2540000]
Zc	0.2540000		ChemSep v8.3 pure component data Compiled value
Zc	0.2478280		KDB
Zra	0.25		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[226.80; 241.10]	J/mol×K	[260.00; 300.00]
Cp,liquid	226.80	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	230.40	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	231.50	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	234.00	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	237.60	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	240.20	J/mol×K	297.10	NIST
Cp,liquid	240.50	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	241.10	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	[12.93; 12.93]	kJ/mol	[248.60; 248.60]
ΔfusH	12.93	kJ/mol	248.60	NIST
ΔfusH	12.93	kJ/mol	248.60	NIST
ΔvapH	[43.81; 58.90]	kJ/mol	[392.50; 471.30]
ΔvapH	58.90	kJ/mol	392.50	NIST
ΔvapH	50.00	kJ/mol	425.00	NIST
ΔvapH	43.81	kJ/mol	471.30	KDB
n0	1.51070		298.15	KDB
ρl	890.00	kg/m3	293.00	KDB
γ	0.03	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[119.90; 477.49]	J/mol×K	[150.00; 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			1.09230e+02
Coefficient B			-5.79210e+02
Coefficient C			6.20824e+00
Coefficient D			1.47050e-04
Coefficient E			-5.95100e-08
Temperature range, min.			150.00
Temperature range, max.			1500.00
Cp,gas	119.90	J/mol×K	150.00	Calculated Property
Cp,gas	184.14	J/mol×K	300.00	Calculated Property
Cp,gas	254.01	J/mol×K	450.00	Calculated Property
Cp,gas	311.52	J/mol×K	600.00	Calculated Property
Cp,gas	357.07	J/mol×K	750.00	Calculated Property
Cp,gas	393.19	J/mol×K	900.00	Calculated Property
Cp,gas	421.98	J/mol×K	1050.00	Calculated Property
Cp,gas	444.97	J/mol×K	1200.00	Calculated Property
Cp,gas	463.22	J/mol×K	1350.00	Calculated Property
Cp,gas	477.49	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[220.86; 324.58]	J/mol×K	[249.46; 480.00]	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			1.80380e+02
Coefficient B			-6.36040e+01
Coefficient C			2.34184e+00
Coefficient D			7.24430e-03
Coefficient E			-3.10510e-06
Temperature range, min.			249.46
Temperature range, max.			480.00
Cp,liquid	220.86	J/mol×K	249.46	Calculated Property
Cp,liquid	228.25	J/mol×K	275.08	Calculated Property
Cp,liquid	236.52	J/mol×K	300.69	Calculated Property
Cp,liquid	245.76	J/mol×K	326.31	Calculated Property
Cp,liquid	256.02	J/mol×K	351.92	Calculated Property
Cp,liquid	267.37	J/mol×K	377.54	Calculated Property
Cp,liquid	279.86	J/mol×K	403.15	Calculated Property
Cp,liquid	293.54	J/mol×K	428.77	Calculated Property
Cp,liquid	308.44	J/mol×K	454.38	Calculated Property
Cp,liquid	324.58	J/mol×K	480.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0037078; 0.0000799]	Pa×s	[249.46; 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			-1.40310e+01
Coefficient B			1.74760e+03
Coefficient C			2.63000e-01
Coefficient D			-3.76530e-07
Coefficient E			2.00000e+00
Temperature range, min.			249.46
Temperature range, max.			573.00
η	0.0037078	Pa×s	249.46	Calculated Property
η	0.0015781	Pa×s	285.41	Calculated Property
η	0.0008140	Pa×s	321.36	Calculated Property
η	0.0004799	Pa×s	357.31	Calculated Property
η	0.0003115	Pa×s	393.26	Calculated Property
η	0.0002173	Pa×s	429.20	Calculated Property
η	0.0001601	Pa×s	465.15	Calculated Property
η	0.0001230	Pa×s	501.10	Calculated Property
η	0.0000978	Pa×s	537.05	Calculated Property
η	0.0000799	Pa×s	573.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[56.15; 0.00]	kJ/mol	[249.46; 679.00]	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			6.65490e+01
Coefficient B			3.13720e-01
Coefficient C			2.59240e-01
Coefficient D			-3.26400e-01
Coefficient E			1.23010e-01
Critical temperature, Tc (K)			6.79000e+02
Temperature range, min.			249.46
Temperature range, max.			679.00
ΔvapH	56.15	kJ/mol	249.46	Calculated Property
ΔvapH	53.63	kJ/mol	297.19	Calculated Property
ΔvapH	50.92	kJ/mol	344.91	Calculated Property
ΔvapH	48.01	kJ/mol	392.64	Calculated Property
ΔvapH	44.82	kJ/mol	440.37	Calculated Property
ΔvapH	41.24	kJ/mol	488.09	Calculated Property
ΔvapH	37.10	kJ/mol	535.82	Calculated Property
ΔvapH	31.98	kJ/mol	583.55	Calculated Property
ΔvapH	24.82	kJ/mol	631.27	Calculated Property
ΔvapH	0.00	kJ/mol	679.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[346.93; 501.64]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47275e+01
Coefficient B			-4.18697e+03
Coefficient C			-5.69750e+01
Temperature range, min.			346.93
Temperature range, max.			501.64
Pvap	1.33	kPa	346.93	Calculated Property
Pvap	2.99	kPa	364.12	Calculated Property
Pvap	6.16	kPa	381.31	Calculated Property
Pvap	11.80	kPa	398.50	Calculated Property
Pvap	21.23	kPa	415.69	Calculated Property
Pvap	36.20	kPa	432.88	Calculated Property
Pvap	58.92	kPa	450.07	Calculated Property
Pvap	92.06	kPa	467.26	Calculated Property
Pvap	138.77	kPa	484.45	Calculated Property
Pvap	202.65	kPa	501.64	Calculated Property
Pvap	[7.73e-04; 2979.88]	kPa	[249.46; 679.00]	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			1.01372e+02
Coefficient B			-9.93660e+03
Coefficient C			-1.25190e+01
Coefficient D			6.27540e-06
Coefficient E			2.00000e+00
Temperature range, min.			249.46
Temperature range, max.			679.00
Pvap	7.73e-04	kPa	249.46	Calculated Property
Pvap	0.06	kPa	297.19	Calculated Property
Pvap	1.17	kPa	344.91	Calculated Property
Pvap	9.56	kPa	392.64	Calculated Property
Pvap	45.33	kPa	440.37	Calculated Property
Pvap	149.95	kPa	488.09	Calculated Property
Pvap	388.54	kPa	535.82	Calculated Property
Pvap	850.80	kPa	583.55	Calculated Property
Pvap	1657.75	kPa	631.27	Calculated Property
Pvap	2979.88	kPa	679.00	Calculated Property
Pvap	[8.69e-04; 2905.67]	kPa	[249.46; 679.00]	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			8.52013e+01
Coefficient B			-9.20614e+03
Coefficient C			-1.00776e+01
Coefficient D			4.43237e-06
Coefficient E			0.00000e+00
Temperature range, min.			249.46
Temperature range, max.			679.00
Pvap	8.69e-04	kPa	249.46	Calculated Property
Pvap	0.06	kPa	297.19	Calculated Property
Pvap	1.16	kPa	344.91	Calculated Property
Pvap	9.45	kPa	392.64	Calculated Property
Pvap	45.01	kPa	440.37	Calculated Property
Pvap	149.99	kPa	488.09	Calculated Property
Pvap	390.35	kPa	535.82	Calculated Property
Pvap	853.35	kPa	583.55	Calculated Property
Pvap	1646.90	kPa	631.27	Calculated Property
Pvap	2905.67	kPa	679.00	Calculated Property
Pvap	[0.13; 100.87]	kPa	[313.80; 471.10]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.31654e+01
Coefficient B			-3.07168e+03
Coefficient C			-1.11909e+02
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			313.80
Temperature range, max.			471.10
Pvap	0.13	kPa	313.80	Calculated Property
Pvap	0.43	kPa	331.28	Calculated Property
Pvap	1.22	kPa	348.76	Calculated Property
Pvap	2.97	kPa	366.23	Calculated Property
Pvap	6.45	kPa	383.71	Calculated Property
Pvap	12.77	kPa	401.19	Calculated Property
Pvap	23.38	kPa	418.67	Calculated Property
Pvap	40.12	kPa	436.14	Calculated Property
Pvap	65.13	kPa	453.62	Calculated Property
Pvap	100.87	kPa	471.10	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[923.30; 277.69]	kg/m3	[249.46; 679.00]	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			7.06122e+01
Coefficient B			2.54280e-01
Coefficient C			6.79000e+02
Coefficient D			2.85650e-01
Temperature range, min.			249.46
Temperature range, max.			679.00
ρl	923.30	kg/m3	249.46	Calculated Property
ρl	887.32	kg/m3	297.19	Calculated Property
ρl	849.57	kg/m3	344.91	Calculated Property
ρl	809.61	kg/m3	392.64	Calculated Property
ρl	766.82	kg/m3	440.37	Calculated Property
ρl	720.20	kg/m3	488.09	Calculated Property
ρl	668.04	kg/m3	535.82	Calculated Property
ρl	606.89	kg/m3	583.55	Calculated Property
ρl	527.37	kg/m3	631.27	Calculated Property
ρl	277.69	kg/m3	679.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.04; 4.41e-06]	N/m	[249.46; 675.99]	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			-7.77840e-03
Coefficient B			2.49630e+02
Coefficient C			-4.80910e+00
Coefficient D			5.16480e-03
Coefficient E			-8.55070e-06
Comment			Range stopped where the equation turns negative; ChemSep gives it to 679 K.
Temperature range, min.			249.46
Temperature range, max.			675.99
γ	0.04	N/m	249.46	Calculated Property
γ	0.03	N/m	296.85	Calculated Property
γ	0.03	N/m	344.25	Calculated Property
γ	0.02	N/m	391.64	Calculated Property
γ	0.02	N/m	439.03	Calculated Property
γ	0.01	N/m	486.42	Calculated Property
γ	0.01	N/m	533.82	Calculated Property
γ	0.01	N/m	581.21	Calculated Property
γ	0.00	N/m	628.60	Calculated Property
γ	4.41e-06	N/m	675.99	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.01; 0.07]	W/m×K	[249.46; 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			8.23840e-05
Coefficient B			1.05550e+00
Coefficient C			5.95150e+02
Coefficient D			3.43350e+04
Temperature range, min.			249.46
Temperature range, max.			1000.00
λgas	0.01	W/m×K	249.46	Calculated Property
λgas	0.01	W/m×K	332.85	Calculated Property
λgas	0.02	W/m×K	416.25	Calculated Property
λgas	0.02	W/m×K	499.64	Calculated Property
λgas	0.03	W/m×K	583.03	Calculated Property
λgas	0.04	W/m×K	666.43	Calculated Property
λgas	0.05	W/m×K	749.82	Calculated Property
λgas	0.06	W/m×K	833.21	Calculated Property
λgas	0.07	W/m×K	916.61	Calculated Property
λgas	0.07	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.14; 0.09]	W/m×K	[249.46; 471.15]	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			-6.49320e-02
Coefficient B			-8.90770e+00
Coefficient C			-1.35930e+00
Coefficient D			-6.67050e-04
Coefficient E			-6.83720e-07
Temperature range, min.			249.46
Temperature range, max.			471.15
λliquid	0.14	W/m×K	249.46	Calculated Property
λliquid	0.13	W/m×K	274.09	Calculated Property
λliquid	0.13	W/m×K	298.72	Calculated Property
λliquid	0.12	W/m×K	323.36	Calculated Property
λliquid	0.12	W/m×K	347.99	Calculated Property
λliquid	0.11	W/m×K	372.62	Calculated Property
λliquid	0.11	W/m×K	397.25	Calculated Property
λliquid	0.10	W/m×K	421.89	Calculated Property
λliquid	0.10	W/m×K	446.52	Calculated Property
λliquid	0.09	W/m×K	471.15	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,2,3,5-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).
• 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
• Crippen Method
• Joback Method
• KDB
• 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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