Chemical Properties of Quinoline, 2,7-dimethyl- (CAS 93-37-8)

InChI

InChI=1S/C11H11N/c1-8-3-5-10-6-4-9(2)12-11(10)7-8/h3-7H,1-2H3

InChI Key

QXKPLNCZSFACPU-UHFFFAOYSA-N

Formula

C11H11N

SMILES

Cc1ccc2ccc(C)nc2c1

Molecular Weight¹

157.21

CAS

93-37-8

Other Names

• 2,7-Dimethylquinoline
• m-Toluquinaldine

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_subH° : Enthalpy of sublimation 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_boilr : Boiling point at reduced pressure (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	0.4392		Relay (... Calculated Property
ΔcH°solid	-5935.00 ± 2.10	kJ/mol	NIST
ΔfG°	225.72	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	121.80 ± 3.00	kJ/mol	NIST
ΔfH°solid	34.30 ± 2.60	kJ/mol	NIST
ΔsubH°	[87.50; 87.50]	kJ/mol
ΔsubH°	87.50 ± 1.50	kJ/mol	NIST
ΔsubH°	87.50	kJ/mol	NIST
ΔsubH°	87.50 ± 1.50	kJ/mol	NIST
ΔvapH°	67.93	kJ/mol	Relay (... Calculated Property
IE	8.24	eV	Relay (... Calculated Property
log10WS	[-1.94; -1.94]
log10WS	-1.94		Aq. Sol...
log10WS	-1.94		Estimat...
logPoct/wat	2.852		Crippen Calculated Property
McVol	132.610	ml/mol	McGowan Calculated Property
Pc	3759.15	kPa	Relay (... Calculated Property ⚠️
Inp	[243.54; 1430.00]
Inp	1400.00		NIST
Inp	1415.00		NIST
Inp	1400.00		NIST
Inp	1415.00		NIST
Inp	1392.00		NIST
Inp	1393.00		NIST
Inp	1397.00		NIST
Inp	1400.00		NIST
Inp	1402.00		NIST
Inp	1400.00		NIST
Inp	1425.00		NIST
Inp	1430.00		NIST
Inp	Outlier 243.54		NIST
Inp	Outlier 244.04		NIST
I	[2018.00; 2044.00]
I	2018.00		NIST
I	2044.00		NIST
I	2018.00		NIST
I	2044.00		NIST
I	2018.00		NIST
I	2044.00		NIST
I	2036.00		NIST
Tboil	537.70	K	NIST
Tc	792.45	K	Relay (... Calculated Property
Tfus	[334.00; 334.00]	K
Tfus	334.00 ± 2.00	K	NIST
Tfus	334.00 ± 3.00	K	NIST
Vc	0.508	m3/kmol	Relay (... Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[396.62; 573.32]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.40117e+01
Coefficient B			-4.19963e+03
Coefficient C			-9.06170e+01
Temperature range, min.			396.62
Temperature range, max.			573.32
Pvap	1.33	kPa	396.62	Calculated Property
Pvap	3.05	kPa	416.25	Calculated Property
Pvap	6.35	kPa	435.89	Calculated Property
Pvap	12.22	kPa	455.52	Calculated Property
Pvap	21.99	kPa	475.15	Calculated Property
Pvap	37.37	kPa	494.79	Calculated Property
Pvap	60.48	kPa	514.42	Calculated Property
Pvap	93.79	kPa	534.05	Calculated Property
Pvap	140.14	kPa	553.69	Calculated Property
Pvap	202.65	kPa	573.32	Calculated Property

Similar Compounds

Find more compounds similar to Quinoline, 2,7-dimethyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.