Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, 4-nitrophenyl ester

InChI

InChI=1S/C16H13NO4/c18-16(15-10-14(15)11-4-2-1-3-5-11)21-13-8-6-12(7-9-13)17(19)20/h1-9,14-15H,10H2

InChI Key

IRYHDWJCCUVCKC-UHFFFAOYSA-N

Formula

C16H13NO4

SMILES

O=C(Oc1ccc([N+](=O)[O-])cc1)C1CC1c1ccccc1

Molecular Weight¹

283.28

• 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°	153.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-115.08	kJ/mol	Joback Calculated Property
ΔfusH°	38.24	kJ/mol	Joback Calculated Property
ΔvapH°	81.77	kJ/mol	Joback Calculated Property
log10WS	-4.50		Crippen Calculated Property
logPoct/wat	3.304		Crippen Calculated Property
McVol	202.780	ml/mol	McGowan Calculated Property
Pc	2624.46	kPa	Joback Calculated Property
Inp	[2521.00; 2521.00]
Inp	2521.00		NIST
Inp	2521.00		NIST
Tboil	854.02	K	Joback Calculated Property
Tc	1119.93	K	Joback Calculated Property
Tfus	564.91	K	Joback Calculated Property
Vc	0.777	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[605.73; 668.54]	J/mol×K	[854.02; 1119.93]
Cp,gas	605.73	J/mol×K	854.02	Joback Calculated Property
Cp,gas	619.03	J/mol×K	898.34	Joback Calculated Property
Cp,gas	631.03	J/mol×K	942.66	Joback Calculated Property
Cp,gas	641.86	J/mol×K	986.98	Joback Calculated Property
Cp,gas	651.64	J/mol×K	1031.29	Joback Calculated Property
Cp,gas	660.49	J/mol×K	1075.61	Joback Calculated Property
Cp,gas	668.54	J/mol×K	1119.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, 4-nitrophenyl ester.

Sources

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

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