Chemical Properties of Phthalic acid, 2-(4-nitrophenoxy)ethyl propyl ester

InChI

InChI=1S/C19H19NO7/c1-2-11-26-18(21)16-5-3-4-6-17(16)19(22)27-13-12-25-15-9-7-14(8-10-15)20(23)24/h3-10H,2,11-13H2,1H3

InChI Key

MCZVCEYLIPOISG-UHFFFAOYSA-N

Formula

C19H19NO7

SMILES

CCCOC(=O)c1ccccc1C(=O)OCCOc1ccc([N+](=O)[O-])cc1

Molecular Weight¹

373.36

• 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°	-222.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-617.95	kJ/mol	Joback Calculated Property
ΔfusH°	50.39	kJ/mol	Joback Calculated Property
ΔvapH°	101.08	kJ/mol	Joback Calculated Property
log10WS	-5.21		Crippen Calculated Property
logPoct/wat	3.397		Crippen Calculated Property
McVol	269.220	ml/mol	McGowan Calculated Property
Pc	1853.11	kPa	Joback Calculated Property
Inp	[3327.00; 3327.00]
Inp	3327.00		NIST
Inp	3327.00		NIST
Tboil	1024.28	K	Joback Calculated Property
Tc	1269.52	K	Joback Calculated Property
Tfus	691.93	K	Joback Calculated Property
Vc	1.032	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[842.07; 870.35]	J/mol×K	[1024.28; 1269.52]
Cp,gas	842.07	J/mol×K	1024.28	Joback Calculated Property
Cp,gas	850.68	J/mol×K	1065.15	Joback Calculated Property
Cp,gas	857.71	J/mol×K	1106.03	Joback Calculated Property
Cp,gas	863.16	J/mol×K	1146.90	Joback Calculated Property
Cp,gas	867.07	J/mol×K	1187.77	Joback Calculated Property
Cp,gas	869.46	J/mol×K	1228.64	Joback Calculated Property
Cp,gas	870.35	J/mol×K	1269.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2-(4-nitrophenoxy)ethyl propyl ester.

Sources

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

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