Chemical Properties of 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).
• 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.

Physical Properties

Property	Value	Unit	Source
ω	0.4486		Relay (1.0) Calculated Property
ΔcH°solid	[-6562.04; -6551.50]	kJ/mol
ΔcH°solid	-6562.04 ± 0.88	kJ/mol	NIST
ΔcH°solid	-6551.50 ± 4.10	kJ/mol	NIST
ΔfH°gas	[230.50; 250.40]	kJ/mol
ΔfH°gas	250.40 ± 2.30	kJ/mol	NIST
ΔfH°gas	230.50 ± 5.00	kJ/mol	NIST
ΔfH°solid	160.20 ± 1.10	kJ/mol	NIST
ΔsubH°	[80.80; 90.20]	kJ/mol
ΔsubH°	90.20 ± 2.00	kJ/mol	NIST
ΔsubH°	90.20	kJ/mol	NIST
ΔsubH°	90.20 ± 2.00	kJ/mol	NIST
ΔsubH°	Outlier 80.80 ± 2.60	kJ/mol	NIST
ΔsubH°	90.20 ± 2.00	kJ/mol	NIST
ΔsubH°	90.20	kJ/mol	NIST
ΔsubH°	90.20 ± 2.00	kJ/mol	NIST
ΔvapH°	81.24	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
logPoct/wat	3.388		Crippen Calculated Property
McVol	141.330	ml/mol	McGowan Calculated Property
Pc	4098.54	kPa	Relay (1.0-beta) Calculated Property
Inp	[301.50; 1805.00]
Inp	1805.00		NIST
Inp	1755.00		NIST
Inp	301.85		NIST
Inp	302.57		NIST
Inp	301.50		NIST
Inp	302.22		NIST
Inp	301.94		NIST
Inp	1805.00		NIST
Inp	301.85		NIST
Inp	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
Tboil	622.25	K	Relay (1.0) Calculated Property
Tc	913.92	K	Relay (1.0) Calculated Property
Tfus	325.00	K	NIST
Ttriple	[324.10; 324.10]	K
Ttriple	324.10 ± 0.01	K	NIST
Ttriple	324.10 ± 0.01	K	NIST
Vc	0.540	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[206.36; 206.36]	J/mol×K	[298.15; 298.15]
Cp,solid	206.36	J/mol×K	298.15	NIST
Cp,solid	206.36	J/mol×K	298.15	NIST
ΔfusH	[14.10; 14.10]	kJ/mol	[324.10; 324.10]
ΔfusH	14.10	kJ/mol	324.10	NIST
ΔfusH	14.10	kJ/mol	324.10	NIST
ΔfusH	14.10	kJ/mol	324.10	NIST
ΔfusH	14.10	kJ/mol	324.10	NIST
ΔfusH	14.10	kJ/mol	324.10	NIST
ΔsubH	80.80 ± 2.50	kJ/mol	308.00	NIST
ΔvapH	[59.00; 71.70]	kJ/mol	[522.50; 522.50]
ΔvapH	71.70 ± 0.10	kJ/mol	522.50	NIST
ΔvapH	69.00 ± 0.10	kJ/mol	522.50	NIST
ΔvapH	66.50 ± 0.10	kJ/mol	522.50	NIST
ΔvapH	64.00 ± 0.10	kJ/mol	522.50	NIST
ΔvapH	61.50 ± 0.30	kJ/mol	522.50	NIST
ΔvapH	59.00 ± 0.30	kJ/mol	522.50	NIST
ΔvapH	71.70 ± 0.10	kJ/mol	522.50	NIST
ΔvapH	69.00 ± 0.10	kJ/mol	522.50	NIST
ΔvapH	66.50 ± 0.10	kJ/mol	522.50	NIST
ΔvapH	64.00 ± 0.10	kJ/mol	522.50	NIST
ΔvapH	61.50 ± 0.30	kJ/mol	522.50	NIST
ΔvapH	59.00 ± 0.30	kJ/mol	522.50	NIST
ΔfusS	[43.51; 43.51]	J/mol×K	[324.10; 324.10]
ΔfusS	43.51	J/mol×K	324.10	NIST
ΔfusS	43.51	J/mol×K	324.10	NIST
ΔfusS	43.51	J/mol×K	324.10	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[496.00; 611.20]	K	[6.30; 95.90]
Tboilr	496.00	K	6.30	NIST
Tboilr	611.20	K	95.90	NIST
Tboilr	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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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.