Chemical Properties of 1,3-Dimethyl-4-propylbenzene (CAS 61827-85-8)

InChI

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

InChI Key

HPAXKQMKDWCLGU-UHFFFAOYSA-N

Formula

C11H16

SMILES

CCCc1ccc(C)cc1C

Molecular Weight¹

148.24

CAS

61827-85-8

Other Names

• 1,3-Dimethyl-4-n-Propylbenzene
• Benzene, 1,3-dimethyl-4-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).
• 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	0.4346		Relay (1.0) Calculated Property
ΔfG°	134.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-44.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.51	kJ/mol	Joback Calculated Property
ΔvapH°	56.26	kJ/mol	Relay (1.0) Calculated Property
IE	8.20	eV	Relay (1.0) Calculated Property
log10WS	-4.16		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	[1143.70; 1154.00]
Inp	1152.00		NIST
Inp	1152.00		NIST
Inp	1143.70		NIST
Inp	1154.00		NIST
Inp	1144.00		NIST
Inp	1144.00		NIST
Inp	1150.00		NIST
Inp	1152.00		NIST
Inp	1154.00		NIST
I	[1394.00; 1429.00]
I	1394.00		NIST
I	1429.00		NIST
I	1394.40		NIST
I	1394.00		NIST
I	1429.00		NIST
I	1394.00		NIST
I	1429.00		NIST
I	1429.00		NIST
Tboil	481.54	K	Relay (1.0) Calculated Property
Tc	677.13	K	Relay (1.0) Calculated Property
Tfus	226.87	K	Relay (1.0) Calculated Property
Vc	0.540	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	[0.0018138; 0.0002048]	Pa×s	[265.19; 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
Temperature range, min.			265.19
Temperature range, max.			484.70
η	0.0018138	Pa×s	265.19	Calculated Property
η	0.0012090	Pa×s	289.58	Calculated Property
η	0.0008583	Pa×s	313.97	Calculated Property
η	0.0006402	Pa×s	338.36	Calculated Property
η	0.0004967	Pa×s	362.75	Calculated Property
η	0.0003979	Pa×s	387.14	Calculated Property
η	0.0003272	Pa×s	411.53	Calculated Property
η	0.0002751	Pa×s	435.92	Calculated Property
η	0.0002355	Pa×s	460.31	Calculated Property
η	0.0002048	Pa×s	484.70	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[354.91; 510.79]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.43841e+01
Coefficient B			-3.96829e+03
Coefficient C			-7.34040e+01
Temperature range, min.			354.91
Temperature range, max.			510.79
Pvap	1.33	kPa	354.91	Calculated Property
Pvap	3.02	kPa	372.23	Calculated Property
Pvap	6.25	kPa	389.55	Calculated Property
Pvap	11.99	kPa	406.87	Calculated Property
Pvap	21.58	kPa	424.19	Calculated Property
Pvap	36.74	kPa	441.51	Calculated Property
Pvap	59.64	kPa	458.83	Calculated Property
Pvap	92.85	kPa	476.15	Calculated Property
Pvap	139.39	kPa	493.47	Calculated Property
Pvap	202.63	kPa	510.79	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dimethyl-4-propylbenzene.

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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