Chemical Properties of Benzenamine, N,N-diethyl-3-methyl- (CAS 91-67-8)

InChI

InChI=1S/C11H17N/c1-4-12(5-2)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3

InChI Key

CIPVVROJHKLHJI-UHFFFAOYSA-N

Formula

C11H17N

SMILES

CCN(CC)c1cccc(C)c1

Molecular Weight¹

163.26

CAS

91-67-8

Other Names

• 1-(Diethylamino)-3-methylbenzene
• 3-(Diethylamino)-1-methylbenzene
• 3-(Diethylamino)toluene
• 3-(N,N-Diethylamino)toluene
• 3-Methyl-N,N-diethylbenzenamine
• N,N-Diethyl-3-methylaniline
• N,N-Diethyl-m-toluidine
• NSC 96629
• m-Methyl(diethylamino)benzene
• m-Methyl-N,N-diethylaniline
• m-Toluidine, N,N-diethyl-

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (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_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.
• 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
PAff	964.10	kJ/mol	NIST
BasG	932.20	kJ/mol	NIST
ΔfG°	255.30	kJ/mol	Joback Calculated Property
ΔfH°gas	22.22	kJ/mol	Joback Calculated Property
ΔfusH°	20.92	kJ/mol	Joback Calculated Property
ΔvapH°	45.06	kJ/mol	Joback Calculated Property
IE	6.90	eV	NIST
log10WS	-2.69		Crippen Calculated Property
logPoct/wat	2.841		Crippen Calculated Property
McVol	152.070	ml/mol	McGowan Calculated Property
Pc	2603.08	kPa	Joback Calculated Property
Inp	[1290.10; 1290.10]
Inp	1290.10		NIST
Inp	1290.10		NIST
Tboil	495.18	K	Joback Calculated Property
Tc	695.71	K	Joback Calculated Property
Tfus	285.14	K	Joback Calculated Property
Vc	0.561	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[334.22; 420.04]	J/mol×K	[495.18; 695.71]
Cp,gas	334.22	J/mol×K	495.18	Joback Calculated Property
Cp,gas	350.65	J/mol×K	528.60	Joback Calculated Property
Cp,gas	366.18	J/mol×K	562.02	Joback Calculated Property
Cp,gas	380.85	J/mol×K	595.44	Joback Calculated Property
Cp,gas	394.69	J/mol×K	628.86	Joback Calculated Property
Cp,gas	407.74	J/mol×K	662.29	Joback Calculated Property
Cp,gas	420.04	J/mol×K	695.71	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[378.72; 537.47]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47193e+01
Coefficient B			-4.29023e+03
Coefficient C			-8.14430e+01
Temperature range, min.			378.72
Temperature range, max.			537.47
Pvap	1.33	kPa	378.72	Calculated Property
Pvap	2.99	kPa	396.36	Calculated Property
Pvap	6.16	kPa	414.00	Calculated Property
Pvap	11.80	kPa	431.64	Calculated Property
Pvap	21.24	kPa	449.28	Calculated Property
Pvap	36.22	kPa	466.91	Calculated Property
Pvap	58.94	kPa	484.55	Calculated Property
Pvap	92.08	kPa	502.19	Calculated Property
Pvap	138.79	kPa	519.83	Calculated Property
Pvap	202.65	kPa	537.47	Calculated Property

Similar Compounds

Find more compounds similar to Benzenamine, N,N-diethyl-3-methyl-.

Sources

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

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