Chemical Properties of Benzene, 1,4-diethyl- (CAS 105-05-5)

InChI

InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3

InChI Key

DSNHSQKRULAAEI-UHFFFAOYSA-N

Formula

C10H14

SMILES

CCc1ccc(CC)cc1

Molecular Weight¹

134.22

CAS

105-05-5

Other Names

• 1,4-DIETHYLBENZENE
• Benzene, p-diethyl-
• p-Diethylbenzene
• p-Ethylethylbenzene
• para-Diethylbenzene

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_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_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4040		KDB
ΔcH°liquid	[-5863.08; -5862.90]	kJ/mol
ΔcH°liquid	-5863.08 ± 0.79	kJ/mol	NIST
ΔcH°liquid	-5862.90 ± 1.80	kJ/mol	NIST
ΔfG°	136.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-24.67	kJ/mol	Joback Calculated Property
ΔfH°liquid	[-73.10; -72.84]	kJ/mol
ΔfH°liquid	-72.84 ± 0.96	kJ/mol	NIST
ΔfH°liquid	-73.10 ± 1.80	kJ/mol	NIST
ΔfusH°	15.31	kJ/mol	Joback Calculated Property
ΔvapH°	52.50	kJ/mol	NIST
IE	[8.40; 8.43]	eV
IE	8.40	eV	NIST
IE	8.40	eV	NIST
IE	8.43	eV	NIST
log10WS	[-3.75; -3.75]
log10WS	-3.75		Aq. Sol...
log10WS	-3.75		Estimat...
logPoct/wat	2.811		Crippen Calculated Property
McVol	128.000	ml/mol	McGowan Calculated Property
Pc	[2800.00; 2803.00]	kPa
Pc	2803.00	kPa	KDB
Pc	2800.00 ± 40.00	kPa	NIST
Pc	2803.00 ± 7.00	kPa	NIST
Inp	[1029.00; 1084.00]
Inp	1047.00		NIST
Inp	1046.00		NIST
Inp	1046.00		NIST
Inp	1048.00		NIST
Inp	1040.00		NIST
Inp	1040.00		NIST
Inp	1058.00		NIST
Inp	1042.00		NIST
Inp	1048.00		NIST
Inp	1053.00		NIST
Inp	1059.00		NIST
Inp	1036.80		NIST
Inp	1039.30		NIST
Inp	1047.90		NIST
Inp	1053.40		NIST
Inp	1059.30		NIST
Inp	1037.10		NIST
Inp	1033.80		NIST
Inp	1036.80		NIST
Inp	1039.30		NIST
Inp	1040.00		NIST
Inp	1033.82		NIST
Inp	1032.00		NIST
Inp	1036.70		NIST
Inp	1036.70		NIST
Inp	1037.10		NIST
Inp	1039.10		NIST
Inp	1055.00		NIST
Inp	1039.00		NIST
Inp	Outlier 1068.00		NIST
Inp	1045.25		NIST
Inp	1042.00		NIST
Inp	1048.00		NIST
Inp	1046.80		NIST
Inp	Outlier 1070.10		NIST
Inp	1056.00		NIST
Inp	1040.50		NIST
Inp	1040.66		NIST
Inp	1040.69		NIST
Inp	1041.00		NIST
Inp	1036.00		NIST
Inp	1036.00		NIST
Inp	1036.33		NIST
Inp	1039.17		NIST
Inp	1042.04		NIST
Inp	1053.74		NIST
Inp	1057.31		NIST
Inp	1060.01		NIST
Inp	1039.00		NIST
Inp	1044.00		NIST
Inp	1046.00		NIST
Inp	1048.00		NIST
Inp	1053.00		NIST
Inp	1053.00		NIST
Inp	1030.00		NIST
Inp	1042.00		NIST
Inp	1048.00		NIST
Inp	1053.00		NIST
Inp	1045.00		NIST
Inp	1045.00		NIST
Inp	Outlier 1069.00		NIST
Inp	1051.00		NIST
Inp	1043.00		NIST
Inp	1038.00		NIST
Inp	1029.00		NIST
Inp	1066.00		NIST
Inp	1055.00		NIST
Inp	Outlier 1080.00		NIST
Inp	1040.00		NIST
Inp	1040.00		NIST
Inp	1047.00		NIST
Inp	1047.00		NIST
Inp	1040.70		NIST
Inp	1037.00		NIST
Inp	1039.00		NIST
Inp	1041.00		NIST
Inp	1042.00		NIST
Inp	1043.00		NIST
Inp	Outlier 1084.00		NIST
I	[1283.60; 1353.00]
I	1305.20		NIST
I	1283.60		NIST
I	1289.40		NIST
I	1283.60		NIST
I	1293.00		NIST
I	1312.00		NIST
I	1320.00		NIST
I	1315.00		NIST
I	1300.00		NIST
I	1305.00		NIST
I	1306.00		NIST
I	1307.00		NIST
I	1284.00		NIST
I	Outlier 1353.00		NIST
I	1305.00		NIST
I	1284.00		NIST
I	1305.00		NIST
I	1291.50		NIST
Tboil	[456.00; 457.00]	K
Tboil	456.94	K	KDB
Tboil	457.00	K	NIST
Tboil	Outlier 456.00 ± 2.00	K	NIST
Tboil	456.80 ± 0.20	K	NIST
Tboil	457.00 ± 2.00	K	NIST
Tboil	456.75 ± 0.30	K	NIST
Tboil	456.90 ± 1.00	K	NIST
Tboil	457.00 ± 2.00	K	NIST
Tboil	456.75 ± 0.20	K	NIST
Tboil	456.90 ± 0.03	K	NIST
Tboil	Outlier 456.00 ± 2.00	K	NIST
Tboil	456.90 ± 0.15	K	NIST
Tboil	456.90 ± 0.20	K	NIST
Tboil	457.00 ± 0.60	K	NIST
Tboil	456.91 ± 0.30	K	NIST
Tboil	456.75 ± 0.20	K	NIST
Tboil	456.90 ± 0.30	K	NIST
Tboil	456.80 ± 0.50	K	NIST
Tboil	456.89 ± 0.30	K	NIST
Tboil	456.15 ± 2.00	K	NIST
Tc	[657.87; 657.90]	K
Tc	657.90	K	KDB
Tc	657.90 ± 0.50	K	NIST
Tc	657.89 ± 0.15	K	NIST
Tc	657.87 ± 0.03	K	NIST
Tfus	[229.60; 230.32]	K
Tfus	230.32	K	KDB
Tfus	230.21	K	Aq. Sol...
Tfus	229.90 ± 0.20	K	NIST
Tfus	229.60 ± 0.60	K	NIST
Vc	0.480	m3/kmol	KDB
Zc	0.2462180		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[257.29; 334.39]	J/mol×K	[459.86; 665.78]
T(K) Ideal gas heat capacity (J/mol×K) 260 280 300 320 340 500 550 600 650
Cp,gas	257.29	J/mol×K	459.86	Joback Calculated Property
Cp,gas	271.96	J/mol×K	494.18	Joback Calculated Property
Cp,gas	285.87	J/mol×K	528.50	Joback Calculated Property
Cp,gas	299.03	J/mol×K	562.82	Joback Calculated Property
Cp,gas	311.49	J/mol×K	597.14	Joback Calculated Property
Cp,gas	323.27	J/mol×K	631.46	Joback Calculated Property
Cp,gas	334.39	J/mol×K	665.78	Joback Calculated Property
η	[0.0002163; 0.0024545]	Pa×s	[241.40; 459.86]
T(K) Dynamic viscosity (Pa×s) 0 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 300 400
η	0.0024545	Pa×s	241.40	Joback Calculated Property
η	0.0012559	Pa×s	277.81	Joback Calculated Property
η	0.0007506	Pa×s	314.22	Joback Calculated Property
η	0.0004992	Pa×s	350.63	Joback Calculated Property
η	0.0003585	Pa×s	387.04	Joback Calculated Property
η	0.0002725	Pa×s	423.45	Joback Calculated Property
η	0.0002163	Pa×s	459.86	Joback Calculated Property
ΔvapH	[39.37; 45.80]	kJ/mol	[416.50; 456.90]
ΔvapH	45.80	kJ/mol	416.50	NIST
ΔvapH	39.37	kJ/mol	456.90	KDB
n0	1.49245		298.15	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[335.02; 487.02]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45880e+01
Coefficient B			-4.01384e+03
Coefficient C			-5.43350e+01
Temperature range, min.			335.02
Temperature range, max.			487.02
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400 450
Pvap	1.33	kPa	335.02	Calculated Property
Pvap	3.00	kPa	351.91	Calculated Property
Pvap	6.20	kPa	368.80	Calculated Property
Pvap	11.88	kPa	385.69	Calculated Property
Pvap	21.37	kPa	402.58	Calculated Property
Pvap	36.42	kPa	419.46	Calculated Property
Pvap	59.21	kPa	436.35	Calculated Property
Pvap	92.38	kPa	453.24	Calculated Property
Pvap	139.02	kPa	470.13	Calculated Property
Pvap	202.64	kPa	487.02	Calculated Property
Pvap	[2.62e-04; 2723.59]	kPa	[230.32; 657.96]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.43431e+01
Coefficient B			-8.82443e+03
Coefficient C			-1.00236e+01
Coefficient D			4.67268e-06
Temperature range, min.			230.32
Temperature range, max.			657.96
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 300 400 500 600
Pvap	2.62e-04	kPa	230.32	Calculated Property
Pvap	0.03	kPa	277.84	Calculated Property
Pvap	0.76	kPa	325.35	Calculated Property
Pvap	7.20	kPa	372.87	Calculated Property
Pvap	37.46	kPa	420.38	Calculated Property
Pvap	131.48	kPa	467.90	Calculated Property
Pvap	352.97	kPa	515.41	Calculated Property
Pvap	786.06	kPa	562.93	Calculated Property
Pvap	1533.77	kPa	610.44	Calculated Property
Pvap	2723.59	kPa	657.96	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,4-diethyl-.

Mixtures

• Undecane + Benzene, 1,4-diethyl- + Thiophene, tetrahydro-, 1,1-dioxide
• Tridecane + Benzene, 1,4-diethyl- + Thiophene, tetrahydro-, 1,1-dioxide

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Liquid Liquid Equilibria of the Ternary Systems Undecane + 1,4-Diethylbenzene + Tetrahydrothiophene 1,1-Dioxide and Tridecane + 1,4-Diethylbenzene + Tetrahydrothiophene 1,1-Dioxide at T = (323.15, 348.15, and 373.15) K
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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