Chemical Properties of Benzene, 1,3-diethyl-5-methyl- (CAS 2050-24-0)

InChI

InChI=1S/C11H16/c1-4-10-6-9(3)7-11(5-2)8-10/h6-8H,4-5H2,1-3H3

InChI Key

HILAULICMJUOLK-UHFFFAOYSA-N

Formula

C11H16

SMILES

CCc1cc(C)cc(CC)c1

Molecular Weight¹

148.24

CAS

2050-24-0

Other Names

• 1,3-DIETHYL-5-METHYLBENZENE
• 1-Methyl-3,5-diethylbenzene
• 3,5-Diethyltoluene
• Benzene, 3,5-diethyl-1-methyl
• Toluene, 3,5-diethyl-

• 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_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).
• 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
ΔfG°	134.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-56.78	kJ/mol	Joback Calculated Property
ΔfusH°	17.51	kJ/mol	Joback Calculated Property
ΔvapH°	43.68	kJ/mol	Joback Calculated Property
log10WS	-3.55		Crippen Calculated Property
logPoct/wat	3.120		Crippen Calculated Property
McVol	142.090	ml/mol	McGowan Calculated Property
Pc	2598.00	kPa	KDB
Inp	[1120.00; 1151.00]
Inp	1130.90		NIST
Inp	1120.00		NIST
Inp	1120.00		NIST
Inp	1129.80		NIST
Inp	1129.60		NIST
Inp	1130.60		NIST
Inp	1130.00		NIST
Inp	1134.00		NIST
Inp	1144.00		NIST
Inp	1130.00		NIST
Inp	1151.00		NIST
Inp	1150.80		NIST
Inp	1143.00		NIST
Inp	1130.00		NIST
Inp	1130.00		NIST
Inp	1130.00		NIST
I	[1365.00; 1429.00]
I	1365.00		NIST
I	1397.00		NIST
I	1398.00		NIST
I	1409.00		NIST
I	1421.00		NIST
I	1429.00		NIST
I	1388.00		NIST
I	1365.00		NIST
I	1365.00		NIST
I	1397.00		NIST
I	1388.00		NIST
I	1365.00		NIST
Tboil	[471.00; 478.20]	K
Tboil	478.20	K	KDB
Tboil	473.85 ± 0.20	K	NIST
Tboil	472.00 ± 3.00	K	NIST
Tboil	471.00 ± 6.00	K	NIST
Tc	673.30	K	KDB
Tfus	[199.00; 199.03]	K
Tfus	199.00	K	KDB
Tfus	199.03 ± 0.20	K	NIST
Vc	0.551	m3/kmol	KDB
Zc	0.2557550		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[301.47; 382.22]	J/mol×K	[487.72; 692.15]
Cp,gas	301.47	J/mol×K	487.72	Joback Calculated Property
Cp,gas	316.73	J/mol×K	521.79	Joback Calculated Property
Cp,gas	331.23	J/mol×K	555.86	Joback Calculated Property
Cp,gas	345.01	J/mol×K	589.93	Joback Calculated Property
Cp,gas	358.09	J/mol×K	624.00	Joback Calculated Property
Cp,gas	370.48	J/mol×K	658.08	Joback Calculated Property
Cp,gas	382.22	J/mol×K	692.15	Joback Calculated Property
η	[0.0002015; 0.0018138]	Pa×s	[265.19; 487.72]
η	0.0018138	Pa×s	265.19	Joback Calculated Property
η	0.0010046	Pa×s	302.28	Joback Calculated Property
η	0.0006331	Pa×s	339.37	Joback Calculated Property
η	0.0004370	Pa×s	376.46	Joback Calculated Property
η	0.0003223	Pa×s	413.54	Joback Calculated Property
η	0.0002500	Pa×s	450.63	Joback Calculated Property
η	0.0002015	Pa×s	487.72	Joback Calculated Property
ΔvapH	49.60	kJ/mol	390.50	NIST
ρl	874.66	kg/m3	293.10	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[346.44; 505.04]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.48010e+01
Coefficient B			-4.34775e+03
Coefficient C			-4.68740e+01
Temperature range, min.			346.44
Temperature range, max.			505.04
Pvap	1.33	kPa	346.44	Calculated Property
Pvap	2.99	kPa	364.06	Calculated Property
Pvap	6.14	kPa	381.68	Calculated Property
Pvap	11.76	kPa	399.31	Calculated Property
Pvap	21.16	kPa	416.93	Calculated Property
Pvap	36.09	kPa	434.55	Calculated Property
Pvap	58.78	kPa	452.17	Calculated Property
Pvap	91.90	kPa	469.80	Calculated Property
Pvap	138.65	kPa	487.42	Calculated Property
Pvap	202.66	kPa	505.04	Calculated Property
Pvap	[0.13; 101.94]	kPa	[307.15; 474.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			5.68039e+01
Coefficient B			-7.64368e+03
Coefficient C			-5.98248e+00
Coefficient D			3.56913e-06
Temperature range, min.			307.15
Temperature range, max.			474.15
Pvap	0.13	kPa	307.15	Calculated Property
Pvap	0.41	kPa	325.71	Calculated Property
Pvap	1.08	kPa	344.26	Calculated Property
Pvap	2.58	kPa	362.82	Calculated Property
Pvap	5.60	kPa	381.37	Calculated Property
Pvap	11.24	kPa	399.93	Calculated Property
Pvap	21.11	kPa	418.48	Calculated Property
Pvap	37.43	kPa	437.04	Calculated Property
Pvap	63.12	kPa	455.59	Calculated Property
Pvap	101.94	kPa	474.15	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,3-diethyl-5-methyl-.

Sources

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

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