Chemical Properties of 9-Cyanophenanthrene (CAS 2510-55-6)

InChI

InChI=1S/C15H9N/c16-10-12-9-11-5-1-2-6-13(11)15-8-4-3-7-14(12)15/h1-9H

InChI Key

CWFIYYOQYVYBPW-UHFFFAOYSA-N

Formula

C15H9N

SMILES

N#Cc1cc2ccccc2c2ccccc12

Molecular Weight¹

203.24

CAS

2510-55-6

Other Names

• 9-Phenanthrenecarbonitrile
• 9-Phenanthrenenitrile
• 9-Phenanthronitrile
• Phenanthrene-9-carbonitrile

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (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
ΔfH°gas	348.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.41	kJ/mol	Joback Calculated Property
ΔvapH°	94.62	kJ/mol	Relay (1.0) Calculated Property
IE	8.25	eV	Relay (1.0) Calculated Property
log10WS	-5.57		Relay (1.0) Calculated Property
logPoct/wat	3.865		Crippen Calculated Property
McVol	160.910	ml/mol	McGowan Calculated Property
Pc	2793.56	kPa	Joback Calculated Property
Inp	[351.81; 363.10]
Inp	351.81		NIST
Inp	363.10		NIST
Tboil	672.74	K	Relay (1.0) Calculated Property
Tc	981.77	K	Relay (1.0) Calculated Property
Tfus	384.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.594	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[190.91; 463.50]	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			-6.19400e+01
Coefficient B			1.15830e+00
Coefficient C			-9.31760e-04
Coefficient D			2.98900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	190.91	J/mol×K	273.00	Calculated Property
Cp,gas	244.46	J/mol×K	353.78	Calculated Property
Cp,gas	289.98	J/mol×K	434.56	Calculated Property
Cp,gas	328.43	J/mol×K	515.33	Calculated Property
Cp,gas	360.75	J/mol×K	596.11	Calculated Property
Cp,gas	387.89	J/mol×K	676.89	Calculated Property
Cp,gas	410.79	J/mol×K	757.67	Calculated Property
Cp,gas	430.39	J/mol×K	838.44	Calculated Property
Cp,gas	447.65	J/mol×K	919.22	Calculated Property
Cp,gas	463.50	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 9-Cyanophenanthrene.

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

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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