Chemical Properties of 2,6-Dimethylbenzonitrile (CAS 6575-13-9)

InChI

InChI=1S/C9H9N/c1-7-4-3-5-8(2)9(7)6-10/h3-5H,1-2H3

InChI Key

QSACPWSIIRFHHR-UHFFFAOYSA-N

Formula

C9H9N

SMILES

Cc1cccc(C)c1C#N

Molecular Weight¹

131.17

CAS

6575-13-9

Other Names

• Benzonitrile, 2,6-dimethyl-

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• 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
ΔcH°solid	-4890.10 ± 1.00	kJ/mol	NIST
ΔfG°	251.23	kJ/mol	Joback Calculated Property
ΔfH°gas	146.20 ± 3.20	kJ/mol	NIST
ΔfH°solid	62.30 ± 1.50	kJ/mol	NIST
ΔfusH°	13.83	kJ/mol	Joback Calculated Property
ΔsubH°	[83.90; 83.90]	kJ/mol
ΔsubH°	83.90 ± 2.80	kJ/mol	NIST
ΔsubH°	83.90	kJ/mol	NIST
ΔvapH°	49.71	kJ/mol	Joback Calculated Property
log10WS	-2.78		Crippen Calculated Property
logPoct/wat	2.175		Crippen Calculated Property
McVol	115.290	ml/mol	McGowan Calculated Property
Pc	3065.95	kPa	Joback Calculated Property
Tboil	544.04	K	Joback Calculated Property
Tc	773.77	K	Joback Calculated Property
Tfus	307.64	K	Joback Calculated Property
Vc	0.458	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[242.78; 298.89]	J/mol×K	[544.04; 773.77]
Cp,gas	242.78	J/mol×K	544.04	Joback Calculated Property
Cp,gas	253.66	J/mol×K	582.33	Joback Calculated Property
Cp,gas	263.89	J/mol×K	620.62	Joback Calculated Property
Cp,gas	273.51	J/mol×K	658.91	Joback Calculated Property
Cp,gas	282.54	J/mol×K	697.19	Joback Calculated Property
Cp,gas	290.99	J/mol×K	735.48	Joback Calculated Property
Cp,gas	298.89	J/mol×K	773.77	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[391.09; 532.52]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.60960e+01
Coefficient B			-4.79956e+03
Coefficient C			-8.74780e+01
Temperature range, min.			391.09
Temperature range, max.			532.52
Pvap	1.33	kPa	391.09	Calculated Property
Pvap	2.90	kPa	406.80	Calculated Property
Pvap	5.87	kPa	422.52	Calculated Property
Pvap	11.16	kPa	438.23	Calculated Property
Pvap	20.07	kPa	453.95	Calculated Property
Pvap	34.39	kPa	469.66	Calculated Property
Pvap	56.47	kPa	485.38	Calculated Property
Pvap	89.30	kPa	501.09	Calculated Property
Pvap	136.55	kPa	516.81	Calculated Property
Pvap	202.64	kPa	532.52	Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Dimethylbenzonitrile.

Sources

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

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