Chemical Properties of Phenyl-4-nitrophenylacetic acid, methyl ester

InChI

InChI=1S/C15H13NO4/c1-20-15(17)14(11-5-3-2-4-6-11)12-7-9-13(10-8-12)16(18)19/h2-10,14H,1H3

InChI Key

JMRXEYLTVZUDJR-UHFFFAOYSA-N

Formula

C15H13NO4

SMILES

COC(=O)C(c1ccccc1)c1ccc([N+](=O)[O-])cc1

Molecular Weight¹

271.27

• 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°	89.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-152.18	kJ/mol	Joback Calculated Property
ΔfusH°	32.92	kJ/mol	Joback Calculated Property
ΔvapH°	79.56	kJ/mol	Joback Calculated Property
log10WS	-3.89		Crippen Calculated Property
logPoct/wat	2.900		Crippen Calculated Property
McVol	199.550	ml/mol	McGowan Calculated Property
Pc	2643.39	kPa	Joback Calculated Property
Inp	[2205.00; 2205.00]
Inp	2205.00		NIST
Inp	2205.00		NIST
Tboil	828.63	K	Joback Calculated Property
Tc	1089.25	K	Joback Calculated Property
Tfus	524.94	K	Joback Calculated Property
Vc	0.759	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[564.92; 622.41]	J/mol×K	[828.63; 1089.25]
Cp,gas	564.92	J/mol×K	828.63	Joback Calculated Property
Cp,gas	577.56	J/mol×K	872.07	Joback Calculated Property
Cp,gas	588.88	J/mol×K	915.50	Joback Calculated Property
Cp,gas	598.95	J/mol×K	958.94	Joback Calculated Property
Cp,gas	607.85	J/mol×K	1002.38	Joback Calculated Property
Cp,gas	615.64	J/mol×K	1045.82	Joback Calculated Property
Cp,gas	622.41	J/mol×K	1089.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenyl-4-nitrophenylacetic acid, methyl ester.

Sources

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

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