Chemical Properties of 1-Aminophenanthrene (CAS 4176-53-8)

InChI

InChI=1S/C14H11N/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-9H,15H2

InChI Key

CXZOCEZMGWOOFD-UHFFFAOYSA-N

Formula

C14H11N

SMILES

Nc1cccc2c1ccc1ccccc12

Molecular Weight¹

193.24

CAS

4176-53-8

• C_p,gas : Ideal gas 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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
ΔfG°	439.90	kJ/mol	Joback Calculated Property
ΔfH°gas	297.23	kJ/mol	Joback Calculated Property
ΔfusH°	24.51	kJ/mol	Joback Calculated Property
ΔvapH°	64.28	kJ/mol	Joback Calculated Property
log10WS	-4.71		Crippen Calculated Property
logPoct/wat	3.575		Crippen Calculated Property
McVol	155.420	ml/mol	McGowan Calculated Property
Pc	3403.91	kPa	Joback Calculated Property
Inp	[356.21; 362.62]
Inp	356.21		NIST
Inp	362.62		NIST
Inp	356.21		NIST
Tboil	666.85	K	Joback Calculated Property
Tc	927.60	K	Joback Calculated Property
Tfus	447.66	K	Joback Calculated Property
Vc	0.585	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[389.28; 456.62]	J/mol×K	[666.85; 927.60]
Cp,gas	389.28	J/mol×K	666.85	Joback Calculated Property
Cp,gas	402.87	J/mol×K	710.31	Joback Calculated Property
Cp,gas	415.31	J/mol×K	753.77	Joback Calculated Property
Cp,gas	426.75	J/mol×K	797.22	Joback Calculated Property
Cp,gas	437.35	J/mol×K	840.68	Joback Calculated Property
Cp,gas	447.26	J/mol×K	884.14	Joback Calculated Property
Cp,gas	456.62	J/mol×K	927.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Aminophenanthrene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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