Chemical Properties of Benzene, 1-methyl-3-(1-methylethyl)- (CAS 535-77-3)

InChI

InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3

InChI Key

XCYJPXQACVEIOS-UHFFFAOYSA-N

Formula

C10H14

SMILES

Cc1cccc(C(C)C)c1

Molecular Weight¹

134.22

CAS

535-77-3

Other Names

• 1-Isopropyl-3-methylbenzene
• 1-Methyl-3-(1-methylethyl)-benzene
• 1-Methyl-3-iso-propylbenzene
• 1-Methyl-3-isopropylbenzene
• 3-Isopropyltoluene
• 3-Methyl-1-isopropylbenzene
• M-ISOPROPYL TOLUENE
• M-METHYL CUMENE
• NSC 73975
• m-Cymene
• m-Cymol
• m-Isopropyl-toluene
• m-Isopropyltoluene
• m-Methylisopropylbenzene
• meta-Cymene
• «beta»-Cymene

• 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_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.
• 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	[0.2790; 0.3628]
ω	0.3628		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.2792		Passut and Danner (1973), critical constants and acentric factors Compiled value
ω	0.3420		ChemSep v8.3 pure component data Compiled value
ω	0.2790		KDB
ΔcH°liquid	[-5857.80; -5857.30]	kJ/mol
ΔcH°liquid	-5857.30 ± 1.00	kJ/mol	NIST
ΔcH°liquid	-5857.80 ± 2.20	kJ/mol	NIST
μ	0.36	debye	ChemSep v8.3 pure component data Compiled value
ΔfG°	130.10	kJ/mol	ChemSep v8.3 pure component data Compiled value
Δc,grossH	5865.55	kJ/mol	KDB
Δc,netH	5558.026	kJ/mol	KDB
ΔfH°gas	[-29.31; -27.99]	kJ/mol
ΔfH°gas	-27.99	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-29.31	kJ/mol	KDB
ΔfH°liquid	[-78.70; -78.20]	kJ/mol
ΔfH°liquid	-78.70 ± 1.10	kJ/mol	NIST
ΔfH°liquid	-78.20 ± 2.10	kJ/mol	NIST
ΔfusH°	11.79	kJ/mol	Joback Calculated Property
ΔvapH°	50.00	kJ/mol	NIST
IE	8.49	eV	Relay (1.0) Calculated Property
log10WS	-3.75		Relay (1.0) Calculated Property
logPoct/wat	3.118		Crippen Calculated Property
McVol	128.000	ml/mol	McGowan Calculated Property
Pc	[2810.00; 2938.55]	kPa
Pc	2846.22	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	2938.55	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc	2810.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	2930.00	kPa	KDB
Ptriple	4.06e-05	kPa	ChemSep v8.3 pure component data Compiled value
Inp	[997.41; 1037.00]
Inp	1000.00		NIST
Inp	999.00		NIST
Inp	1010.00		NIST
Inp	1013.00		NIST
Inp	1013.00		NIST
Inp	1013.00		NIST
Inp	999.00		NIST
Inp	1006.60		NIST
Inp	1012.00		NIST
Inp	1018.00		NIST
Inp	1024.00		NIST
Inp	1000.30		NIST
Inp	1001.80		NIST
Inp	1011.90		NIST
Inp	1018.50		NIST
Inp	1024.30		NIST
Inp	1004.00		NIST
Inp	1000.30		NIST
Inp	1001.80		NIST
Inp	1010.00		NIST
Inp	997.41		NIST
Inp	998.10		NIST
Inp	1002.40		NIST
Inp	1002.00		NIST
Inp	1006.40		NIST
Inp	1013.00		NIST
Inp	1030.00		NIST
Inp	1030.00		NIST
Inp	Outlier 1037.00		NIST
Inp	1025.60		NIST
Inp	1007.00		NIST
Inp	1024.00		NIST
Inp	Outlier 1037.00		NIST
Inp	1006.00		NIST
Inp	1009.00		NIST
Inp	1029.00		NIST
Inp	1033.00		NIST
Inp	1026.00		NIST
Inp	1023.00		NIST
Inp	1033.00		NIST
Inp	1013.00		NIST
Inp	1010.00		NIST
Inp	1026.90		NIST
Inp	1006.50		NIST
Inp	1028.00		NIST
Inp	1005.20		NIST
Inp	1005.90		NIST
Inp	1023.00		NIST
Inp	1026.00		NIST
Inp	1004.00		NIST
Inp	1007.40		NIST
Inp	1007.84		NIST
Inp	1008.00		NIST
Inp	1023.00		NIST
Inp	1003.40		NIST
Inp	1006.35		NIST
Inp	1008.12		NIST
Inp	1019.92		NIST
Inp	1023.11		NIST
Inp	1025.18		NIST
Inp	1007.00		NIST
Inp	Outlier 1037.00		NIST
Inp	1010.00		NIST
Inp	1012.00		NIST
Inp	1024.00		NIST
Inp	1000.00		NIST
Inp	1005.00		NIST
Inp	1010.00		NIST
Inp	1007.00		NIST
Inp	1010.00		NIST
Inp	1026.00		NIST
Inp	1020.00		NIST
Inp	1022.00		NIST
Inp	1021.00		NIST
Inp	1035.00		NIST
Inp	1013.00		NIST
Inp	1031.00		NIST
Inp	1022.00		NIST
Inp	1008.00		NIST
Inp	1029.00		NIST
Inp	1021.00		NIST
Inp	1008.00		NIST
Inp	1003.00		NIST
Inp	1026.00		NIST
Inp	1022.00		NIST
Inp	1012.00		NIST
Inp	1016.00		NIST
Inp	1027.10		NIST
Inp	1025.00		NIST
Inp	1006.00		NIST
Inp	1021.00		NIST
Inp	1006.00		NIST
Inp	1012.00		NIST
Inp	1015.00		NIST
Inp	1026.00		NIST
Inp	Outlier 1037.00		NIST
Inp	1030.00		NIST
Inp	1025.00		NIST
Inp	1010.00		NIST
Inp	1013.00		NIST
Inp	1026.00		NIST
Inp	1023.00		NIST
Inp	1010.00		NIST
Inp	1007.00		NIST
Inp	1010.00		NIST
Inp	1002.80		NIST
Inp	Outlier 1037.00		NIST
Inp	1012.00		NIST
Inp	1000.00		NIST
Inp	1013.00		NIST
Inp	1024.00		NIST
Inp	1024.30		NIST
Inp	997.41		NIST
Inp	1029.00		NIST
Inp	1005.20		NIST
Inp	1007.40		NIST
Inp	1006.35		NIST
Inp	1007.00		NIST
Inp	1021.00		NIST
Inp	1008.00		NIST
Inp	1026.00		NIST
Inp	1025.00		NIST
Inp	1015.00		NIST
Ip	[1232.00; 1313.00]
Ip	1266.50		NIST
Ip	1260.40		NIST
Ip	1244.30		NIST
Ip	1270.00		NIST
Ip	1263.00		NIST
Ip	1276.00		NIST
Ip	1279.00		NIST
Ip	1258.00		NIST
Ip	1267.00		NIST
Ip	1267.00		NIST
Ip	1264.00		NIST
Ip	1277.00		NIST
Ip	1279.00		NIST
Ip	1290.00		NIST
Ip	Outlier 1302.00		NIST
Ip	Outlier 1313.00		NIST
Ip	1269.00		NIST
Ip	1244.00		NIST
Ip	1250.00		NIST
Ip	1261.00		NIST
Ip	1269.00		NIST
Ip	1278.00		NIST
Ip	1271.00		NIST
Ip	Outlier 1232.00		NIST
Ip	1282.00		NIST
Ip	1278.00		NIST
Ip	1278.00		NIST
Ip	1261.00		NIST
Ip	1271.00		NIST
Ip	1278.00		NIST
Ip	1275.00		NIST
Ip	1247.00		NIST
Ip	1278.00		NIST
Ip	1259.00		NIST
Ip	1248.00		NIST
Ip	1264.00		NIST
Ip	1263.00		NIST
Ip	1267.00		NIST
Ip	1277.00		NIST
Ip	1269.00		NIST
Tboil	[445.65; 448.90]	K
Tboil	448.23	K	ChemSep v8.3 pure component data Compiled value
Tboil	448.30	K	KDB
Tboil	448.30	K	NIST
Tboil	448.40 ± 0.60	K	NIST
Tboil	448.35 ± 0.20	K	NIST
Tboil	Outlier 446.00 ± 2.00	K	NIST
Tboil	Outlier 445.65 ± 1.50	K	NIST
Tboil	448.35 ± 0.20	K	NIST
Tboil	448.35 ± 0.30	K	NIST
Tboil	448.90 ± 0.50	K	NIST
Tboil	448.35 ± 0.15	K	NIST
Tboil	448.35 ± 0.30	K	NIST
Tboil	448.90 ± 0.50	K	NIST
Tboil	448.20 ± 2.00	K	NIST
Tboil	448.00 ± 3.00	K	NIST
Tboil	448.00 ± 3.00	K	NIST
Tboil	448.00 ± 5.00	K	NIST
Tboil	448.00 ± 3.00	K	NIST
Tboil	448.13 ± 0.50	K	NIST
Tc	[651.40; 666.25]	K
Tc	651.40	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	666.21	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc	666.25	K	ChemSep v8.3 pure component data Compiled value
Tc	666.00	K	KDB
Tfus	[209.26; 209.44]	K
Tfus	209.30	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	209.44	K	ChemSep v8.3 pure component data Compiled value
Tfus	209.38 ± 0.02	K	NIST
Tfus	209.39 ± 0.02	K	NIST
Tfus	209.40 ± 0.01	K	NIST
Tfus	209.26 ± 0.20	K	NIST
Ttriple	209.44	K	ChemSep v8.3 pure component data Compiled value
UQi	4.61		ChemSep v8.3 pure component data Compiled value
URi	6.01		ChemSep v8.3 pure component data Compiled value
Vc	[0.478; 0.490]	m3/kmol
Vc	0.490	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.478	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	0.2570000		ChemSep v8.3 pure component data Compiled value
Zra	0.26		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	44.70	kJ/mol	400.50	NIST
n0	1.49050		298.15	KDB
ρl	861.00	kg/m3	293.00	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[134.07; 481.58]	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			1.18290e+02
Coefficient B			-8.08580e+02
Coefficient C			6.91024e+00
Coefficient D			-5.76690e-04
Coefficient E			1.72910e-07
Temperature range, min.			200.00
Temperature range, max.			1500.00
Cp,gas	134.07	J/mol×K	200.00	Calculated Property
Cp,gas	198.50	J/mol×K	344.44	Calculated Property
Cp,gas	269.05	J/mol×K	488.89	Calculated Property
Cp,gas	326.32	J/mol×K	633.33	Calculated Property
Cp,gas	369.60	J/mol×K	777.78	Calculated Property
Cp,gas	402.21	J/mol×K	922.22	Calculated Property
Cp,gas	427.43	J/mol×K	1066.67	Calculated Property
Cp,gas	447.86	J/mol×K	1211.11	Calculated Property
Cp,gas	465.44	J/mol×K	1355.56	Calculated Property
Cp,gas	481.58	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[193.75; 311.37]	J/mol×K	[209.44; 448.23]	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			1.29560e+02
Coefficient B			-1.14640e+02
Coefficient C			3.52824e+00
Coefficient D			6.80700e-03
Coefficient E			-5.57760e-06
Temperature range, min.			209.44
Temperature range, max.			448.23
Cp,liquid	193.75	J/mol×K	209.44	Calculated Property
Cp,liquid	206.12	J/mol×K	235.97	Calculated Property
Cp,liquid	219.04	J/mol×K	262.50	Calculated Property
Cp,liquid	232.39	J/mol×K	289.04	Calculated Property
Cp,liquid	246.03	J/mol×K	315.57	Calculated Property
Cp,liquid	259.76	J/mol×K	342.10	Calculated Property
Cp,liquid	273.39	J/mol×K	368.63	Calculated Property
Cp,liquid	286.69	J/mol×K	395.17	Calculated Property
Cp,liquid	299.43	J/mol×K	421.70	Calculated Property
Cp,liquid	311.37	J/mol×K	448.23	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0041992; 0.0001009]	Pa×s	[209.44; 600.00]	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			-8.25820e+00
Coefficient B			1.04830e+03
Coefficient C			-4.14480e-01
Coefficient D			-1.08360e-07
Coefficient E			2.00000e+00
Temperature range, min.			209.44
Temperature range, max.			600.00
η	0.0041992	Pa×s	209.44	Calculated Property
η	0.0016415	Pa×s	252.84	Calculated Property
η	0.0008352	Pa×s	296.23	Calculated Property
η	0.0005007	Pa×s	339.63	Calculated Property
η	0.0003346	Pa×s	383.02	Calculated Property
η	0.0002413	Pa×s	426.42	Calculated Property
η	0.0001840	Pa×s	469.81	Calculated Property
η	0.0001462	Pa×s	513.21	Calculated Property
η	0.0001199	Pa×s	556.60	Calculated Property
η	0.0001009	Pa×s	600.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[53.30; 11.47]	kJ/mol	[209.44; 649.00]	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			1.13202e+02
Coefficient B			4.40275e+00
Coefficient C			-1.07169e+01
Coefficient D			1.10294e+01
Coefficient E			-4.11362e+00
Critical temperature, Tc (K)			6.66250e+02
Temperature range, min.			209.44
Temperature range, max.			649.00
ΔvapH	53.30	kJ/mol	209.44	Calculated Property
ΔvapH	50.00	kJ/mol	258.28	Calculated Property
ΔvapH	47.56	kJ/mol	307.12	Calculated Property
ΔvapH	45.32	kJ/mol	355.96	Calculated Property
ΔvapH	42.78	kJ/mol	404.80	Calculated Property
ΔvapH	39.56	kJ/mol	453.64	Calculated Property
ΔvapH	35.37	kJ/mol	502.48	Calculated Property
ΔvapH	29.98	kJ/mol	551.32	Calculated Property
ΔvapH	22.89	kJ/mol	600.16	Calculated Property
ΔvapH	11.47	kJ/mol	649.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[326.41; 478.55]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.43637e+01
Coefficient B			-3.85868e+03
Coefficient C			-5.22790e+01
Temperature range, min.			326.41
Temperature range, max.			478.55
Pvap	1.33	kPa	326.41	Calculated Property
Pvap	3.02	kPa	343.31	Calculated Property
Pvap	6.25	kPa	360.22	Calculated Property
Pvap	12.00	kPa	377.12	Calculated Property
Pvap	21.60	kPa	394.03	Calculated Property
Pvap	36.78	kPa	410.93	Calculated Property
Pvap	59.69	kPa	427.84	Calculated Property
Pvap	92.92	kPa	444.74	Calculated Property
Pvap	139.45	kPa	461.65	Calculated Property
Pvap	202.66	kPa	478.55	Calculated Property
Pvap	[4.97e-05; 2806.25]	kPa	[209.44; 649.00]	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			6.52242e+01
Coefficient B			-7.67650e+03
Coefficient C			-7.22630e+00
Coefficient D			3.17420e-06
Coefficient E			2.00000e+00
Temperature range, min.			209.44
Temperature range, max.			649.00
Pvap	4.97e-05	kPa	209.44	Calculated Property
Pvap	0.01	kPa	258.28	Calculated Property
Pvap	0.42	kPa	307.12	Calculated Property
Pvap	4.99	kPa	355.96	Calculated Property
Pvap	29.92	kPa	404.80	Calculated Property
Pvap	115.58	kPa	453.64	Calculated Property
Pvap	331.65	kPa	502.48	Calculated Property
Pvap	773.18	kPa	551.32	Calculated Property
Pvap	1554.25	kPa	600.16	Calculated Property
Pvap	2806.25	kPa	649.00	Calculated Property
Pvap	[3.69e-05; 2855.52]	kPa	[209.44; 657.00]	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			7.49799e+01
Coefficient B			-8.18442e+03
Coefficient C			-8.65797e+00
Coefficient D			3.71735e-06
Coefficient E			0.00000e+00
Temperature range, min.			209.44
Temperature range, max.			657.00
Pvap	3.69e-05	kPa	209.44	Calculated Property
Pvap	0.01	kPa	259.17	Calculated Property
Pvap	0.45	kPa	308.90	Calculated Property
Pvap	5.52	kPa	358.63	Calculated Property
Pvap	33.26	kPa	408.36	Calculated Property
Pvap	127.16	kPa	458.08	Calculated Property
Pvap	358.29	kPa	507.81	Calculated Property
Pvap	818.06	kPa	557.54	Calculated Property
Pvap	1611.04	kPa	607.27	Calculated Property
Pvap	2855.52	kPa	657.00	Calculated Property
Pvap	[0.13; 101.33]	kPa	[289.77; 448.06]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.48377e+01
Coefficient B			-4.10961e+03
Coefficient C			-4.59170e+01
Reference			McDonald, Shrader, et al., 1959
Temperature range, min.			289.77
Temperature range, max.			448.06
Pvap	0.13	kPa	289.77	Calculated Property
Pvap	0.41	kPa	307.36	Calculated Property
Pvap	1.12	kPa	324.95	Calculated Property
Pvap	2.67	kPa	342.53	Calculated Property
Pvap	5.80	kPa	360.12	Calculated Property
Pvap	11.61	kPa	377.71	Calculated Property
Pvap	21.65	kPa	395.30	Calculated Property
Pvap	38.05	kPa	412.88	Calculated Property
Pvap	63.50	kPa	430.47	Calculated Property
Pvap	101.33	kPa	448.06	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[923.09; 470.00]	kg/m3	[209.44; 625.87]	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			2.37553e+01
Coefficient B			1.49760e-01
Coefficient C			6.66250e+02
Coefficient D			1.99220e-01
Temperature range, min.			209.44
Temperature range, max.			625.87
ρl	923.09	kg/m3	209.44	Calculated Property
ρl	889.49	kg/m3	255.71	Calculated Property
ρl	854.11	kg/m3	301.98	Calculated Property
ρl	816.57	kg/m3	348.25	Calculated Property
ρl	776.33	kg/m3	394.52	Calculated Property
ρl	732.61	kg/m3	440.79	Calculated Property
ρl	684.14	kg/m3	487.06	Calculated Property
ρl	628.75	kg/m3	533.33	Calculated Property
ρl	561.83	kg/m3	579.60	Calculated Property
ρl	470.00	kg/m3	625.87	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.04; 5.14e-04]	N/m	[209.44; 649.00]	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			-1.22080e-02
Coefficient B			4.73670e+01
Coefficient C			-3.05870e+00
Coefficient D			2.13680e-05
Coefficient E			-3.30620e-06
Temperature range, min.			209.44
Temperature range, max.			649.00
γ	0.04	N/m	209.44	Calculated Property
γ	0.03	N/m	258.28	Calculated Property
γ	0.03	N/m	307.12	Calculated Property
γ	0.02	N/m	355.96	Calculated Property
γ	0.02	N/m	404.80	Calculated Property
γ	0.01	N/m	453.64	Calculated Property
γ	0.01	N/m	502.48	Calculated Property
γ	0.01	N/m	551.32	Calculated Property
γ	0.00	N/m	600.16	Calculated Property
γ	5.14e-04	N/m	649.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.00; 0.08]	W/m×K	[209.44; 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			9.81620e-06
Coefficient B			1.30840e+00
Coefficient C			4.59180e+01
Coefficient D			5.14180e+04
Temperature range, min.			209.44
Temperature range, max.			1000.00
λgas	0.00	W/m×K	209.44	Calculated Property
λgas	0.01	W/m×K	297.28	Calculated Property
λgas	0.02	W/m×K	385.12	Calculated Property
λgas	0.02	W/m×K	472.96	Calculated Property
λgas	0.03	W/m×K	560.80	Calculated Property
λgas	0.04	W/m×K	648.64	Calculated Property
λgas	0.05	W/m×K	736.48	Calculated Property
λgas	0.06	W/m×K	824.32	Calculated Property
λgas	0.07	W/m×K	912.16	Calculated Property
λgas	0.08	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.14; 0.09]	W/m×K	[209.44; 448.23]	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			-4.25580e-02
Coefficient B			-1.80460e+01
Coefficient C			-1.30810e+00
Coefficient D			-1.53770e-03
Coefficient E			2.64140e-07
Temperature range, min.			209.44
Temperature range, max.			448.23
λliquid	0.14	W/m×K	209.44	Calculated Property
λliquid	0.13	W/m×K	235.97	Calculated Property
λliquid	0.13	W/m×K	262.50	Calculated Property
λliquid	0.12	W/m×K	289.04	Calculated Property
λliquid	0.12	W/m×K	315.57	Calculated Property
λliquid	0.11	W/m×K	342.10	Calculated Property
λliquid	0.11	W/m×K	368.63	Calculated Property
λliquid	0.10	W/m×K	395.17	Calculated Property
λliquid	0.10	W/m×K	421.70	Calculated Property
λliquid	0.09	W/m×K	448.23	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-methyl-3-(1-methylethyl)-.

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).
• 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
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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