7,8-Benzoquinoline

InChI

InChI=1S/C13H9N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1-9H

InChI Key

WZJYKHNJTSNBHV-UHFFFAOYSA-N

Formula

C13H9N

SMILES

c1ccc2c(c1)ccc1cccnc12

Molecular Weight¹

179.22

Other Names

.alpha.-benzoquinoline
.alpha.-naphthoquinoline
4-azaphenanthrene
7,8-benzo[h]quinoline
benzo[h]quinoline
«alpha»-Benzoquinoline

ω : Acentric Factor.
Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
C_p,solid : Solid phase heat capacity (J/mol×K).
C_sat : Molar heat capacity at saturation pressure (J/mol×K).
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 a given temperature (kJ/mol).
Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
Δ_subH : Enthalpy of sublimation 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.
Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
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).
T_triple : Triple Point Temperature (K).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
ω	0.4486		Relay (1.0) Calculated Property
Δ_cH°_solid	[-6562.04; -6551.50]	kJ/mol
Δ_cH°_solid	-6562.04 ± 0.88	kJ/mol	NIST
Δ_cH°_solid	-6551.50 ± 4.10	kJ/mol	NIST
Δ_fH°_gas	[230.50; 250.40]	kJ/mol
Δ_fH°_gas	250.40 ± 2.30	kJ/mol	NIST
Δ_fH°_gas	230.50 ± 5.00	kJ/mol	NIST
Δ_fH°_solid	160.20 ± 1.10	kJ/mol	NIST
Δ_subH°	[80.80; 90.20]	kJ/mol
Δ_subH°	90.20 ± 2.00	kJ/mol	NIST
Δ_subH°	90.20	kJ/mol	NIST
Δ_subH°	90.20 ± 2.00	kJ/mol	NIST
Δ_subH°	Outlier 80.80 ± 2.60	kJ/mol	NIST
Δ_subH°	90.20 ± 2.00	kJ/mol	NIST
Δ_subH°	90.20	kJ/mol	NIST
Δ_subH°	90.20 ± 2.00	kJ/mol	NIST
Δ_vapH°	80.15	kJ/mol	Relay (1.0) Calculated Property
IE	[8.04; 8.30]	eV
IE	8.04 ± 0.02	eV	NIST
IE	8.30 ± 0.10	eV	NIST
log₁₀WS	-3.25		Relay (1.0) Calculated Property
logP_oct/wat	3.388		Crippen Calculated Property
McVol	141.330	ml/mol	McGowan Calculated Property
P_c	4088.12	kPa	Relay (1.0-beta) Calculated Property
I_np	[301.50; 1805.00]
I_np	1805.00		NIST
I_np	1755.00		NIST
I_np	301.85		NIST
I_np	302.57		NIST
I_np	301.50		NIST
I_np	302.22		NIST
I_np	301.94		NIST
I_np	1805.00		NIST
I_np	301.85		NIST
I_np	301.94		NIST
S°_{solid,1 bar}	[213.20; 213.20]	J/mol×K
S°_{solid,1 bar}	213.20	J/mol×K	NIST
S°_{solid,1 bar}	213.20	J/mol×K	NIST
T_boil	622.25	K	Relay (1.0) Calculated Property
T_c	913.76	K	Relay (1.0) Calculated Property
T_fus	325.00	K	NIST
T_triple	[324.10; 324.10]	K
T_triple	324.10 ± 0.01	K	NIST
T_triple	324.10 ± 0.01	K	NIST
V_c	0.538	m³/kmol	Relay (1.0) Calculated Property

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Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,solid	[206.36; 206.36]	J/mol×K	[298.15; 298.15]
C_p,solid	206.36	J/mol×K	298.15	NIST
C_p,solid	206.36	J/mol×K	298.15	NIST
C_sat	[307.80; 400.00]	J/mol×K	[400.00; 600.00]

C_sat	307.80	J/mol×K	400.00	Thermodynamic properties of three-ring aza-aromatics. 2. Experimental results for 1,10-phenanthroline, phenanthridine, and 7,8-benzoquinoline, and mutual validation of experiments and computational methods
C_sat	312.90	J/mol×K	410.00	Thermodynamic properties of three-ring aza-aromatics. 2. Experimental results for 1,10-phenanthroline, phenanthridine, and 7,8-benzoquinoline, and mutual validation of experiments and computational methods
C_sat	317.90	J/mol×K	420.00	Thermodynamic properties of three-ring aza-aromatics. 2. Experimental results for 1,10-phenanthroline, phenanthridine, and 7,8-benzoquinoline, and mutual validation of experiments and computational methods
C_sat	323.10	J/mol×K	430.00	Thermodynamic properties of three-ring aza-aromatics. 2. Experimental results for 1,10-phenanthroline, phenanthridine, and 7,8-benzoquinoline, and mutual validation of experiments and computational methods
C_sat	328.20	J/mol×K	440.00	Thermodynamic properties of three-ring aza-aromatics. 2. Experimental results for 1,10-phenanthroline, phenanthridine, and 7,8-benzoquinoline, and mutual validation of experiments and computational methods
C_sat	333.30	J/mol×K	450.00	Thermodynamic properties of three-ring aza-aromatics. 2. Experimental results for 1,10-phenanthroline, phenanthridine, and 7,8-benzoquinoline, and mutual validation of experiments and computational methods
C_sat	338.40	J/mol×K	460.00	Thermodynamic properties of three-ring aza-aromatics. 2. Experimental results for 1,10-phenanthroline, phenanthridine, and 7,8-benzoquinoline, and mutual validation of experiments and computational methods
C_sat	343.50	J/mol×K	470.00	Thermodynamic properties of three-ring aza-aromatics. 2. Experimental results for 1,10-phenanthroline, phenanthridine, and 7,8-benzoquinoline, and mutual validation of experiments and computational methods
C_sat	348.50	J/mol×K	480.00	Thermodynamic properties of three-ring aza-aromatics. 2. Experimental results for 1,10-phenanthroline, phenanthridine, and 7,8-benzoquinoline, and mutual validation of experiments and computational methods
C_sat	353.50	J/mol×K	490.00	Thermodynamic properties of three-ring aza-aromatics. 2. Experimental results for 1,10-phenanthroline, phenanthridine, and 7,8-benzoquinoline, and mutual validation of experiments and computational methods
C_sat	358.40	J/mol×K	500.00	Thermodynamic properties of three-ring aza-aromatics. 2. Experimental results for 1,10-phenanthroline, phenanthridine, and 7,8-benzoquinoline, and mutual validation of experiments and computational methods
C_sat	363.30	J/mol×K	510.00	Thermodynamic properties of three-ring aza-aromatics. 2. Experimental results for 1,10-phenanthroline, phenanthridine, and 7,8-benzoquinoline, and mutual validation of experiments and computational methods
C_sat	368.10	J/mol×K	520.00	Thermodynamic properties of three-ring aza-aromatics. 2. Experimental results for 1,10-phenanthroline, phenanthridine, and 7,8-benzoquinoline, and mutual validation of experiments and computational methods
C_sat	372.70	J/mol×K	530.00	Thermodynamic properties of three-ring aza-aromatics. 2. Experimental results for 1,10-phenanthroline, phenanthridine, and 7,8-benzoquinoline, and mutual validation of experiments and computational methods
C_sat	377.20	J/mol×K	540.00	Thermodynamic properties of three-ring aza-aromatics. 2. Experimental results for 1,10-phenanthroline, phenanthridine, and 7,8-benzoquinoline, and mutual validation of experiments and computational methods
C_sat	381.60	J/mol×K	550.00	Thermodynamic properties of three-ring aza-aromatics. 2. Experimental results for 1,10-phenanthroline, phenanthridine, and 7,8-benzoquinoline, and mutual validation of experiments and computational methods
C_sat	385.80	J/mol×K	560.00	Thermodynamic properties of three-ring aza-aromatics. 2. Experimental results for 1,10-phenanthroline, phenanthridine, and 7,8-benzoquinoline, and mutual validation of experiments and computational methods
C_sat	389.70	J/mol×K	570.00	Thermodynamic properties of three-ring aza-aromatics. 2. Experimental results for 1,10-phenanthroline, phenanthridine, and 7,8-benzoquinoline, and mutual validation of experiments and computational methods
C_sat	393.40	J/mol×K	580.00	Thermodynamic properties of three-ring aza-aromatics. 2. Experimental results for 1,10-phenanthroline, phenanthridine, and 7,8-benzoquinoline, and mutual validation of experiments and computational methods
C_sat	396.90	J/mol×K	590.00	Thermodynamic properties of three-ring aza-aromatics. 2. Experimental results for 1,10-phenanthroline, phenanthridine, and 7,8-benzoquinoline, and mutual validation of experiments and computational methods
C_sat	400.00	J/mol×K	600.00	Thermodynamic properties of three-ring aza-aromatics. 2. Experimental results for 1,10-phenanthroline, phenanthridine, and 7,8-benzoquinoline, and mutual validation of experiments and computational methods
Δ_fusH	[14.10; 14.10]	kJ/mol	[324.10; 324.10]

Δ_fusH	14.10	kJ/mol	324.10	NIST
Δ_fusH	14.10	kJ/mol	324.10	NIST
Δ_fusH	14.10	kJ/mol	324.10	NIST
Δ_fusH	14.10	kJ/mol	324.10	NIST
Δ_fusH	14.10	kJ/mol	324.10	NIST
Δ_subH	80.80 ± 2.50	kJ/mol	308.00	NIST
Δ_vapH	[59.00; 71.70]	kJ/mol	[522.50; 522.50]

Δ_vapH	71.70 ± 0.10	kJ/mol	522.50	NIST
Δ_vapH	69.00 ± 0.10	kJ/mol	522.50	NIST
Δ_vapH	66.50 ± 0.10	kJ/mol	522.50	NIST
Δ_vapH	64.00 ± 0.10	kJ/mol	522.50	NIST
Δ_vapH	61.50 ± 0.30	kJ/mol	522.50	NIST
Δ_vapH	59.00 ± 0.30	kJ/mol	522.50	NIST
Δ_vapH	71.70 ± 0.10	kJ/mol	522.50	NIST
Δ_vapH	69.00 ± 0.10	kJ/mol	522.50	NIST
Δ_vapH	66.50 ± 0.10	kJ/mol	522.50	NIST
Δ_vapH	64.00 ± 0.10	kJ/mol	522.50	NIST
Δ_vapH	61.50 ± 0.30	kJ/mol	522.50	NIST
Δ_vapH	59.00 ± 0.30	kJ/mol	522.50	NIST
Δ_fusS	[43.51; 43.51]	J/mol×K	[324.10; 324.10]
Δ_fusS	43.51	J/mol×K	324.10	NIST
Δ_fusS	43.51	J/mol×K	324.10	NIST
Δ_fusS	43.51	J/mol×K	324.10	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
T_boilr	[496.00; 611.20]	K	[6.30; 95.90]
T_boilr	496.00	K	6.30	NIST
T_boilr	611.20	K	95.90	NIST
T_boilr	611.00	K	95.90	NIST

Similar Compounds

Find more compounds similar to 7,8-Benzoquinoline.

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
Crippen Method
Thermodynamic properties of three-ring aza-aromatics. 2. Experimental results for 1,10-phenanthroline, phenanthridine, and 7,8-benzoquinoline, and mutual validation of experiments and computational methods
Additive scheme for calculation of solvation enthalpies of heterocyclic aromatic compounds. Sublimation/vaporization enthalpy at 298.15 K
McGowan Method
NIST Webbook

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Chemical Properties of 7,8-Benzoquinoline

Physical Properties

Temperature Dependent Properties

Pressure Dependent Properties

Similar Compounds

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