Chemical Properties of Phthalic acid, 3-methoxy-4-nitrobenzyl octyl ester

InChI

InChI=1S/C24H29NO7/c1-3-4-5-6-7-10-15-31-23(26)19-11-8-9-12-20(19)24(27)32-17-18-13-14-21(25(28)29)22(16-18)30-2/h8-9,11-14,16H,3-7,10,15,17H2,1-2H3

InChI Key

MAUKRILGTLHOGK-UHFFFAOYSA-N

Formula

C24H29NO7

SMILES

CCCCCCCCOC(=O)c1ccccc1C(=O)OCc1ccc([N+](=O)[O-])c(OC)c1

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°	-190.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-732.62	kJ/mol	Joback Calculated Property
ΔfusH°	62.95	kJ/mol	Joback Calculated Property
ΔvapH°	112.87	kJ/mol	Joback Calculated Property
log10WS	-7.77		Crippen Calculated Property
logPoct/wat	5.478		Crippen Calculated Property
McVol	339.670	ml/mol	McGowan Calculated Property
Pc	1259.27	kPa	Joback Calculated Property
Inp	[3881.00; 3881.00]
Inp	3881.00		NIST
Inp	3881.00		NIST
Tboil	1143.66	K	Joback Calculated Property
Tc	1400.19	K	Joback Calculated Property
Tfus	760.80	K	Joback Calculated Property
Vc	1.312	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1131.43; 1150.01]	J/mol×K	[1143.66; 1400.19]
Cp,gas	1131.43	J/mol×K	1143.66	Joback Calculated Property
Cp,gas	1138.98	J/mol×K	1186.41	Joback Calculated Property
Cp,gas	1144.57	J/mol×K	1229.17	Joback Calculated Property
Cp,gas	1148.23	J/mol×K	1271.92	Joback Calculated Property
Cp,gas	1150.01	J/mol×K	1314.68	Joback Calculated Property
Cp,gas	1149.95	J/mol×K	1357.43	Joback Calculated Property
Cp,gas	1148.09	J/mol×K	1400.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 3-methoxy-4-nitrobenzyl octyl ester.

Sources

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

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