Chemical Properties of 1,1':4',1''-Terphenyl, 4-nitro-

InChI

InChI=1S/C18H13NO2/c20-19(21)18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H

InChI Key

IMMGNSJGTWWGJB-UHFFFAOYSA-N

Formula

C18H13NO2

SMILES

O=[N+]([O-])c1ccc(-c2ccc(-c3ccccc3)cc2)cc1

Molecular Weight¹

275.31

Other Names

• 4-Nitro-(para-terphenyl)
• 4-Nitro-p-terphenyl
• 4-nitro-1,1':4':1'-terphenyl
• p-Terphenyl, 4-nitro-

• ω : Acentric Factor.
• 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).
• 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
ω	0.6459		Relay (1.0) Calculated Property
ΔfG°	454.20	kJ/mol	Joback Calculated Property
ΔfH°gas	265.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.08	kJ/mol	Joback Calculated Property
ΔvapH°	124.72	kJ/mol	Relay (1.0) Calculated Property
IE	8.53	eV	Relay (1.0) Calculated Property
log10WS	-6.21		Relay (1.0) Calculated Property
logPoct/wat	4.929		Crippen Calculated Property
McVol	210.620	ml/mol	McGowan Calculated Property
Pc	2574.11	kPa	Joback Calculated Property
Inp	[437.81; 2696.00]
Inp	443.20		NIST
Inp	2654.00		NIST
Inp	2696.00		NIST
Inp	2695.00		NIST
Inp	2696.00		NIST
Inp	437.81		NIST
Inp	443.20		NIST
Inp	2696.00		NIST
Tboil	697.60	K	Relay (1.0) Calculated Property
Tc	1009.21	K	Relay (1.0) Calculated Property
Tfus	464.22	K	Relay (1.0) Calculated Property
Vc	0.754	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[247.83; 632.54]	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			-8.11000e+01
Coefficient B			1.45746e+00
Coefficient C			-9.93320e-04
Coefficient D			2.49500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	247.83	J/mol×K	273.00	Calculated Property
Cp,gas	321.24	J/mol×K	353.78	Calculated Property
Cp,gas	385.14	J/mol×K	434.56	Calculated Property
Cp,gas	440.33	J/mol×K	515.33	Calculated Property
Cp,gas	487.58	J/mol×K	596.11	Calculated Property
Cp,gas	527.70	J/mol×K	676.89	Calculated Property
Cp,gas	561.46	J/mol×K	757.67	Calculated Property
Cp,gas	589.67	J/mol×K	838.44	Calculated Property
Cp,gas	613.09	J/mol×K	919.22	Calculated Property
Cp,gas	632.54	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,1':4',1''-Terphenyl, 4-nitro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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