Chemical Properties of Benzene, 2-ethyl-1,4-dimethyl- (CAS 1758-88-9)

InChI

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

InChI Key

AXIUBBVSOWPLDA-UHFFFAOYSA-N

Formula

C10H14

SMILES

CCc1cc(C)ccc1C

Molecular Weight¹

134.22

CAS

1758-88-9

Other Names

• 1,4-Dimethyl-2-ethylbenzene
• 2,5-Dimethylethylbenzene
• 2-Ethyl-1,4-dimethylbenzene
• 2-Ethyl-p-xylene
• p-Xylene, 2-ethyl-

• 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).
• ρ_l : Liquid Density (kg/m³).
• 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	0.3600		KDB
ΔcH°liquid	[-5851.10; -5850.70]	kJ/mol
ΔcH°liquid	-5851.10 ± 1.10	kJ/mol	NIST
ΔcH°liquid	-5850.70 ± 2.60	kJ/mol	NIST
ΔfG°	126.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-30.05	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	[-85.30; -84.80]	kJ/mol
ΔfH°liquid	-84.80 ± 1.20	kJ/mol	NIST
ΔfH°liquid	-85.30 ± 2.60	kJ/mol	NIST
ΔfusH°	14.92	kJ/mol	Joback Calculated Property
ΔvapH°	52.60	kJ/mol	NIST
IE	8.17	eV	Relay (1.0) Calculated Property
log10WS	-3.77		Relay (1.0) Calculated Property
logPoct/wat	2.866		Crippen Calculated Property
McVol	128.000	ml/mol	McGowan Calculated Property
Pc	2900.00	kPa	KDB
Inp	[1049.00; 1093.00]
Inp	1068.50		NIST
Inp	1069.50		NIST
Inp	1060.00		NIST
Inp	1060.00		NIST
Inp	1068.00		NIST
Inp	1069.00		NIST
Inp	1067.20		NIST
Inp	1066.70		NIST
Inp	1067.70		NIST
Inp	1067.00		NIST
Inp	1073.00		NIST
Inp	Outlier 1089.00		NIST
Inp	1067.00		NIST
Inp	1067.00		NIST
Inp	1069.00		NIST
Inp	1069.00		NIST
Inp	1059.00		NIST
Inp	1054.80		NIST
Inp	1062.00		NIST
Inp	1054.29		NIST
Inp	1081.00		NIST
Inp	1080.00		NIST
Inp	1085.00		NIST
Inp	Outlier 1089.00		NIST
Inp	1060.50		NIST
Inp	1060.00		NIST
Inp	1086.90		NIST
Inp	1061.00		NIST
Inp	Outlier 1090.00		NIST
Inp	1068.00		NIST
Inp	1067.00		NIST
Inp	1068.80		NIST
Inp	1059.60		NIST
Inp	1063.00		NIST
Inp	1062.00		NIST
Inp	1062.32		NIST
Inp	1063.12		NIST
Inp	1063.00		NIST
Inp	1061.00		NIST
Inp	Outlier 1093.00		NIST
Inp	1074.60		NIST
Inp	1064.00		NIST
Inp	1073.00		NIST
Inp	Outlier 1049.00		NIST
Inp	1062.00		NIST
Inp	1063.00		NIST
Inp	1071.00		NIST
Inp	1074.00		NIST
Inp	1068.00		NIST
Inp	1070.00		NIST
Inp	1066.00		NIST
Inp	1085.20		NIST
Inp	1051.00		NIST
Inp	1060.00		NIST
Inp	1072.00		NIST
Inp	1077.00		NIST
Inp	1083.00		NIST
Inp	1077.00		NIST
Inp	1059.00		NIST
Inp	1068.00		NIST
Inp	1059.00		NIST
Inp	1064.00		NIST
Inp	1067.00		NIST
Inp	1073.00		NIST
Inp	1066.00		NIST
Inp	1071.00		NIST
Inp	1085.20		NIST
Inp	1068.00		NIST
I	[1307.00; 1364.00]
I	1307.00		NIST
I	1343.50		NIST
I	1335.00		NIST
I	1321.10		NIST
I	1339.00		NIST
I	Outlier 1364.00		NIST
I	1321.00		NIST
I	1323.00		NIST
I	1341.00		NIST
I	1344.00		NIST
I	1321.00		NIST
I	1344.00		NIST
I	1307.00		NIST
Tboil	[459.00; 461.70]	K
Tboil	460.10	K	KDB
Tboil	460.10	K	NIST
Tboil	459.98 ± 0.20	K	NIST
Tboil	459.60 ± 0.30	K	NIST
Tboil	459.60 ± 0.30	K	NIST
Tboil	460.06 ± 0.20	K	NIST
Tboil	459.60 ± 1.00	K	NIST
Tboil	459.60 ± 0.15	K	NIST
Tboil	460.40 ± 2.00	K	NIST
Tboil	460.06 ± 0.20	K	NIST
Tboil	459.60 ± 0.30	K	NIST
Tboil	Outlier 461.70 ± 1.50	K	NIST
Tboil	459.00 ± 3.00	K	NIST
Tc	662.60	K	KDB
Tfus	[219.41; 219.50]	K
Tfus	219.50	K	KDB
Tfus	219.41 ± 0.20	K	NIST
Vc	0.461	m3/kmol	KDB
Zc	0.2425620		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[48.00; 48.70]	kJ/mol	[369.50; 414.00]
ΔvapH	48.70	kJ/mol	369.50	NIST
ΔvapH	48.00	kJ/mol	414.00	NIST
ρl	872.44	kg/m3	293.10	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[165.46; 410.63]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.15090e+01
Coefficient B			7.55960e-01
Coefficient C			-4.17320e-04
Coefficient D			8.35000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	165.46	J/mol×K	273.00	Calculated Property
Cp,gas	207.40	J/mol×K	353.78	Calculated Property
Cp,gas	245.04	J/mol×K	434.56	Calculated Property
Cp,gas	278.66	J/mol×K	515.33	Calculated Property
Cp,gas	308.52	J/mol×K	596.11	Calculated Property
Cp,gas	334.88	J/mol×K	676.89	Calculated Property
Cp,gas	358.01	J/mol×K	757.67	Calculated Property
Cp,gas	378.17	J/mol×K	838.44	Calculated Property
Cp,gas	395.62	J/mol×K	919.22	Calculated Property
Cp,gas	410.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035594; 0.0002080]	Pa×s	[219.45; 463.82]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.10285e+01
Coefficient B			1.18294e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			219.45
Temperature range, max.			463.82
η	0.0035594	Pa×s	219.45	Calculated Property
η	0.0019662	Pa×s	246.61	Calculated Property
η	0.0012218	Pa×s	273.76	Calculated Property
η	0.0008273	Pa×s	300.91	Calculated Property
η	0.0005976	Pa×s	328.06	Calculated Property
η	0.0004536	Pa×s	355.21	Calculated Property
η	0.0003581	Pa×s	382.37	Calculated Property
η	0.0002917	Pa×s	409.52	Calculated Property
η	0.0002437	Pa×s	436.67	Calculated Property
η	0.0002080	Pa×s	463.82	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[336.42; 490.24]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47855e+01
Coefficient B			-4.20569e+03
Coefficient C			-4.63260e+01
Temperature range, min.			336.42
Temperature range, max.			490.24
Pvap	1.33	kPa	336.42	Calculated Property
Pvap	2.99	kPa	353.51	Calculated Property
Pvap	6.15	kPa	370.60	Calculated Property
Pvap	11.77	kPa	387.69	Calculated Property
Pvap	21.17	kPa	404.78	Calculated Property
Pvap	36.12	kPa	421.88	Calculated Property
Pvap	58.80	kPa	438.97	Calculated Property
Pvap	91.93	kPa	456.06	Calculated Property
Pvap	138.66	kPa	473.15	Calculated Property
Pvap	202.63	kPa	490.24	Calculated Property
Pvap	[7.43e-05; 2847.62]	kPa	[219.52; 663.00]	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			5.69470e+01
Coefficient B			-7.63454e+03
Coefficient C			-5.89162e+00
Coefficient D			1.81744e-06
Coefficient E			0.00000e+00
Temperature range, min.			219.52
Temperature range, max.			663.00
Pvap	7.43e-05	kPa	219.52	Calculated Property
Pvap	0.01	kPa	268.80	Calculated Property
Pvap	0.44	kPa	318.07	Calculated Property
Pvap	5.01	kPa	367.35	Calculated Property
Pvap	29.91	kPa	416.62	Calculated Property
Pvap	116.38	kPa	465.90	Calculated Property
Pvap	336.90	kPa	515.17	Calculated Property
Pvap	789.97	kPa	564.45	Calculated Property
Pvap	1588.21	kPa	613.72	Calculated Property
Pvap	2847.62	kPa	663.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 2-ethyl-1,4-dimethyl-.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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