Chemical Properties of Quinoline, 1,2,3,4-tetrahydro- (CAS 635-46-1)

InChI

InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6,10H,3,5,7H2

InChI Key

LBUJPTNKIBCYBY-UHFFFAOYSA-N

Formula

C9H11N

SMILES

c1ccc2c(c1)CCCN2

Molecular Weight¹

133.19

CAS

635-46-1

Other Names

• 1,2,3,4-Tetrahydrochinoline
• 1,2,3,4-Tetrahydroquinoline
• Kusol
• Tetrahydroquinoline

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• I_np : Non-polar retention indices.
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4025		Relay (1.0) Calculated Property
ΔcH°liquid	-5130.34 ± 0.66	kJ/mol	NIST
ΔfG°	271.75	kJ/mol	Joback Calculated Property
ΔfH°gas	82.00 ± 0.80	kJ/mol	NIST
ΔfH°liquid	16.70 ± 0.80	kJ/mol	NIST
ΔfusH°	17.27	kJ/mol	Joback Calculated Property
ΔvapH°	[65.30; 65.33]	kJ/mol
ΔvapH°	65.33	kJ/mol	NIST
ΔvapH°	65.30	kJ/mol	NIST
ΔvapH°	65.30 ± 0.20	kJ/mol	NIST
ΔvapH°	65.33	kJ/mol	NIST
ΔvapH°	65.30	kJ/mol	NIST
ΔvapH°	65.30 ± 0.20	kJ/mol	NIST
IE	[7.00; 7.61]	eV
IE	7.00 ± 0.02	eV	NIST
IE	7.61	eV	NIST
log10WS	-1.76		Relay (1.0) Calculated Property
logPoct/wat	2.045		Crippen Calculated Property
McVol	113.030	ml/mol	McGowan Calculated Property
Pc	4146.27	kPa	Joback Calculated Property
Inp	[225.97; 1332.50]
Inp	1326.80		NIST
Inp	1325.10		NIST
Inp	1318.50		NIST
Inp	1326.80		NIST
Inp	1332.50		NIST
Inp	1285.00		NIST
Inp	1294.90		NIST
Inp	1318.50		NIST
Inp	1326.80		NIST
Inp	1332.50		NIST
Inp	1326.80		NIST
Inp	1325.10		NIST
Inp	Outlier 225.97		NIST
Inp	1326.80		NIST
Inp	1285.00		NIST
Inp	Outlier 225.97		NIST
S°liquid	240.36	J/mol×K	NIST
Tboil	[522.20; 524.00]	K
Tboil	522.20	K	NIST
Tboil	524.00 ± 1.00	K	NIST
Tc	784.52	K	Relay (1.0) Calculated Property
Tfus	290.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Ttriple	[289.91; 289.91]	K
Ttriple	289.91 ± 0.01	K	NIST
Ttriple	289.91 ± 0.01	K	NIST
Vc	0.401	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	236.04	J/mol×K	298.15	NIST
ΔfusH	[11.81; 11.81]	kJ/mol	[290.00; 290.00]
ΔfusH	11.81	kJ/mol	290.00	NIST
ΔfusH	11.81	kJ/mol	290.00	NIST
ΔvapH	[47.90; 62.10]	kJ/mol	[447.50; 447.50]
ΔvapH	62.10 ± 0.10	kJ/mol	447.50	NIST
ΔvapH	59.20 ± 0.10	kJ/mol	447.50	NIST
ΔvapH	56.30 ± 0.10	kJ/mol	447.50	NIST
ΔvapH	53.50 ± 0.20	kJ/mol	447.50	NIST
ΔvapH	50.80 ± 0.30	kJ/mol	447.50	NIST
ΔvapH	47.90 ± 0.40	kJ/mol	447.50	NIST
ΔvapH	62.10 ± 0.10	kJ/mol	447.50	NIST
ΔvapH	59.20 ± 0.10	kJ/mol	447.50	NIST
ΔvapH	56.30 ± 0.10	kJ/mol	447.50	NIST
ΔvapH	53.50 ± 0.20	kJ/mol	447.50	NIST
ΔvapH	50.80 ± 0.30	kJ/mol	447.50	NIST
ΔvapH	47.90 ± 0.40	kJ/mol	447.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[128.21; 368.16]	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			-6.92800e+01
Coefficient B			8.74800e-01
Coefficient C			-5.98560e-04
Coefficient D			1.61200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	128.21	J/mol×K	273.00	Calculated Property
Cp,gas	172.43	J/mol×K	353.78	Calculated Property
Cp,gas	211.07	J/mol×K	434.56	Calculated Property
Cp,gas	244.64	J/mol×K	515.33	Calculated Property
Cp,gas	273.65	J/mol×K	596.11	Calculated Property
Cp,gas	298.61	J/mol×K	676.89	Calculated Property
Cp,gas	320.03	J/mol×K	757.67	Calculated Property
Cp,gas	338.42	J/mol×K	838.44	Calculated Property
Cp,gas	354.30	J/mol×K	919.22	Calculated Property
Cp,gas	368.16	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Quinoline, 1,2,3,4-tetrahydro-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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