Chemical Properties of Benzene, 1,3-dimethyl-5-propyl- (CAS 3982-64-7)

InChI

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

InChI Key

NBICXWXPZRNMPF-UHFFFAOYSA-N

Formula

C11H16

SMILES

CCCc1cc(C)cc(C)c1

Molecular Weight¹

148.24

CAS

3982-64-7

Other Names

• 1,3-Dimethyl-5-n-Propylbenzene
• 1,3-Dimethyl-5-propylbenzene

• 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).
• P_vap : Vapor pressure (kPa).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4490		Relay (1.0) Calculated Property
ΔfG°	134.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-42.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.51	kJ/mol	Joback Calculated Property
ΔvapH°	55.64	kJ/mol	Relay (1.0) Calculated Property
IE	8.26	eV	Relay (1.0) Calculated Property
log10WS	-4.26		Relay (1.0) Calculated Property
logPoct/wat	3.256		Crippen Calculated Property
McVol	142.090	ml/mol	McGowan Calculated Property
Pc	2568.89	kPa	Joback Calculated Property
Inp	[1124.00; 1139.00]
Inp	1139.00		NIST
Inp	1133.00		NIST
Inp	1133.00		NIST
Inp	1126.00		NIST
Inp	1139.00		NIST
Inp	1126.00		NIST
Inp	1124.00		NIST
Inp	1126.00		NIST
Inp	1127.00		NIST
Inp	1132.00		NIST
Inp	1126.00		NIST
Inp	1133.00		NIST
I	[1363.00; 1408.00]
I	1406.20		NIST
I	1363.40		NIST
I	1363.00		NIST
I	1406.00		NIST
I	1363.00		NIST
I	1408.00		NIST
Tboil	475.39 ± 0.30	K	NIST
Tc	675.92	K	Relay (1.0) Calculated Property
Tfus	213.97 ± 0.25	K	NIST
Vc	0.545	m3/kmol	Relay (1.0) Calculated Property

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	[0.0057445; 0.0002048]	Pa×s	[213.97; 484.70]	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.			213.97
Temperature range, max.			484.70
η	0.0057445	Pa×s	213.97	Calculated Property
η	0.0027527	Pa×s	244.05	Calculated Property
η	0.0015501	Pa×s	274.13	Calculated Property
η	0.0009779	Pa×s	304.21	Calculated Property
η	0.0006703	Pa×s	334.30	Calculated Property
η	0.0004890	Pa×s	364.38	Calculated Property
η	0.0003743	Pa×s	394.46	Calculated Property
η	0.0002976	Pa×s	424.54	Calculated Property
η	0.0002439	Pa×s	454.62	Calculated Property
η	0.0002048	Pa×s	484.70	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[351.66; 506.16]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.43867e+01
Coefficient B			-3.93486e+03
Coefficient C			-7.25750e+01
Temperature range, min.			351.66
Temperature range, max.			506.16
Pvap	1.33	kPa	351.66	Calculated Property
Pvap	3.02	kPa	368.83	Calculated Property
Pvap	6.25	kPa	385.99	Calculated Property
Pvap	11.99	kPa	403.16	Calculated Property
Pvap	21.58	kPa	420.33	Calculated Property
Pvap	36.74	kPa	437.49	Calculated Property
Pvap	59.64	kPa	454.66	Calculated Property
Pvap	92.87	kPa	471.83	Calculated Property
Pvap	139.41	kPa	488.99	Calculated Property
Pvap	202.67	kPa	506.16	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,3-dimethyl-5-propyl-.

Sources

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

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