Chemical Properties of Benzo[h]quinoline (CAS 230-27-3)

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

CAS

230-27-3

Other Names

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

• 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 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).
• 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_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
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°	80.80 ± 2.60	kJ/mol	NIST
IE	[8.04; 8.30]	eV
IE	8.04 ± 0.02	eV	NIST
IE	8.30 ± 0.10	eV	NIST
log10WS	-4.85		Crippen Calculated Property
logPoct/wat	3.388		Crippen Calculated Property
McVol	141.330	ml/mol	McGowan 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
Tfus	325.00	K	NIST
Ttriple	324.10 ± 0.01	K	NIST

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
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
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

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 Benzo[h]quinoline.

Sources

• 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
• McGowan Method
• NIST Webbook

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