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

InChI

InChI=1S/C24H29NO7/c1-2-3-4-5-6-9-16-31-23(26)21-10-7-8-11-22(21)24(27)32-18-17-30-20-14-12-19(13-15-20)25(28)29/h7-8,10-15H,2-6,9,16-18H2,1H3

InChI Key

HXDGHFFSWHYOMD-UHFFFAOYSA-N

Formula

C24H29NO7

SMILES

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

Molecular Weight¹

443.49

• 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°	-180.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-721.15	kJ/mol	Joback Calculated Property
ΔfusH°	63.34	kJ/mol	Joback Calculated Property
ΔvapH°	112.21	kJ/mol	Joback Calculated Property
log10WS	-7.31		Crippen Calculated Property
logPoct/wat	5.348		Crippen Calculated Property
McVol	339.670	ml/mol	McGowan Calculated Property
Pc	1272.78	kPa	Joback Calculated Property
Inp	[3838.00; 3838.00]
Inp	3838.00		NIST
Inp	3838.00		NIST
Tboil	1138.68	K	Joback Calculated Property
Tc	1394.11	K	Joback Calculated Property
Tfus	748.28	K	Joback Calculated Property
Vc	1.312	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1133.69; 1155.17]	J/mol×K	[1138.68; 1394.11]
T(K) Ideal gas heat capacity (J/mol×K) 1135 1140 1145 1150 1155 1200 1300 1400
Cp,gas	1133.69	J/mol×K	1138.68	Joback Calculated Property
Cp,gas	1141.64	J/mol×K	1181.25	Joback Calculated Property
Cp,gas	1147.71	J/mol×K	1223.82	Joback Calculated Property
Cp,gas	1151.95	J/mol×K	1266.40	Joback Calculated Property
Cp,gas	1154.42	J/mol×K	1308.97	Joback Calculated Property
Cp,gas	1155.17	J/mol×K	1351.54	Joback Calculated Property
Cp,gas	1154.25	J/mol×K	1394.11	Joback Calculated Property

Similar Compounds

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

Sources

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

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