Chemical Properties of 1,4-Dimethyl-2-propylbenzene (CAS 3042-50-0)

InChI

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

InChI Key

PWEDYOIWLPZSRP-UHFFFAOYSA-N

Formula

C11H16

SMILES

CCCc1cc(C)ccc1C

Molecular Weight¹

148.24

CAS

3042-50-0

Other Names

• 1,4-Dimethyl,2-n-Propylbenzene
• 1-propyl-2,5-dimethylbenzene
• 2-Propyl p-xylene
• Benzene, 1,4-dimethyl-2-propyl-

• ω : Acentric Factor.
• 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).
• 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).
• I_np : Non-polar retention indices.
• I_p : 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4295		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ΔfG°	134.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-43.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.51	kJ/mol	Joback Calculated Property
ΔvapH°	56.50	kJ/mol	Relay (1.0) Calculated Property
IE	8.17	eV	Relay (1.0) Calculated Property
log10WS	-4.14		Relay (1.0) Calculated Property
logPoct/wat	3.256		Crippen Calculated Property
McVol	142.090	ml/mol	McGowan Calculated Property
Pc	2654.72	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Inp	[1140.00; 1148.00]
Inp	1148.00		NIST
Inp	1148.00		NIST
Inp	1140.00		NIST
Inp	1148.00		NIST
Inp	1140.00		NIST
Inp	1140.00		NIST
Inp	1145.00		NIST
Inp	1148.00		NIST
Inp	1148.00		NIST
Inp	1140.00		NIST
Ip	[1385.90; 1452.00]
Ip	1415.00		NIST
Ip	1385.90		NIST
Ip	1425.00		NIST
Ip	1425.00		NIST
Ip	1438.00		NIST
Ip	1452.00		NIST
Ip	1413.00		NIST
Ip	1386.00		NIST
Ip	1415.00		NIST
Ip	1386.00		NIST
Ip	1415.00		NIST
Tboil	480.00 ± 6.00	K	NIST
Tc	679.70	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tfus	244.49	K	Relay (1.0) Calculated Property
Vc	0.551	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[186.68; 462.22]	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			-1.24180e+01
Coefficient B			8.50960e-01
Coefficient C			-4.71720e-04
Coefficient D			9.54000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	186.68	J/mol×K	273.00	Calculated Property
Cp,gas	233.82	J/mol×K	353.78	Calculated Property
Cp,gas	276.12	J/mol×K	434.56	Calculated Property
Cp,gas	313.89	J/mol×K	515.33	Calculated Property
Cp,gas	347.43	J/mol×K	596.11	Calculated Property
Cp,gas	377.04	J/mol×K	676.89	Calculated Property
Cp,gas	403.02	J/mol×K	757.67	Calculated Property
Cp,gas	425.68	J/mol×K	838.44	Calculated Property
Cp,gas	445.31	J/mol×K	919.22	Calculated Property
Cp,gas	462.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018138; 0.0002152]	Pa×s	[265.19; 475.79]	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			-1.11281e+01
Coefficient B			1.27710e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			265.19
Temperature range, max.			475.79
η	0.0018138	Pa×s	265.19	Calculated Property
η	0.0012275	Pa×s	288.59	Calculated Property
η	0.0008808	Pa×s	311.99	Calculated Property
η	0.0006620	Pa×s	335.39	Calculated Property
η	0.0005164	Pa×s	358.79	Calculated Property
η	0.0004153	Pa×s	382.19	Calculated Property
η	0.0003425	Pa×s	405.59	Calculated Property
η	0.0002884	Pa×s	428.99	Calculated Property
η	0.0002473	Pa×s	452.39	Calculated Property
η	0.0002152	Pa×s	475.79	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Dimethyl-2-propylbenzene.

Sources

• 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)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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