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

InChI

InChI=1S/C21H23NO7/c1-2-3-6-13-28-20(23)18-7-4-5-8-19(18)21(24)29-15-14-27-17-11-9-16(10-12-17)22(25)26/h4-5,7-12H,2-3,6,13-15H2,1H3

InChI Key

IUDXMMRWJGLIIY-UHFFFAOYSA-N

Formula

C21H23NO7

SMILES

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

Molecular Weight¹

401.41

• 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°	-205.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-659.23	kJ/mol	Joback Calculated Property
ΔfusH°	55.57	kJ/mol	Joback Calculated Property
ΔvapH°	105.53	kJ/mol	Joback Calculated Property
log10WS	-6.05		Crippen Calculated Property
logPoct/wat	4.178		Crippen Calculated Property
McVol	297.400	ml/mol	McGowan Calculated Property
Pc	1580.97	kPa	Joback Calculated Property
Inp	[3532.00; 3532.00]
Inp	3532.00		NIST
Inp	3532.00		NIST
Tboil	1070.04	K	Joback Calculated Property
Tc	1316.24	K	Joback Calculated Property
Tfus	714.47	K	Joback Calculated Property
Vc	1.143	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[957.68; 983.60]	J/mol×K	[1070.04; 1316.24]
Cp,gas	957.68	J/mol×K	1070.04	Joback Calculated Property
Cp,gas	966.08	J/mol×K	1111.07	Joback Calculated Property
Cp,gas	972.81	J/mol×K	1152.11	Joback Calculated Property
Cp,gas	977.89	J/mol×K	1193.14	Joback Calculated Property
Cp,gas	981.36	J/mol×K	1234.18	Joback Calculated Property
Cp,gas	983.26	J/mol×K	1275.21	Joback Calculated Property
Cp,gas	983.60	J/mol×K	1316.24	Joback Calculated Property

Similar Compounds

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

Sources

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

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