Chemical Properties of Phthalic acid, decyl 4-nitrobenzyl ester

InChI

InChI=1S/C25H31NO6/c1-2-3-4-5-6-7-8-11-18-31-24(27)22-12-9-10-13-23(22)25(28)32-19-20-14-16-21(17-15-20)26(29)30/h9-10,12-17H,2-8,11,18-19H2,1H3

InChI Key

PLEKPRPWVXSJGH-UHFFFAOYSA-N

Formula

C25H31NO6

SMILES

CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1

Molecular Weight¹

441.52

• 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°	-67.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-609.57	kJ/mol	Joback Calculated Property
ΔfusH°	64.75	kJ/mol	Joback Calculated Property
ΔvapH°	112.02	kJ/mol	Joback Calculated Property
log10WS	-8.48		Crippen Calculated Property
logPoct/wat	6.249		Crippen Calculated Property
McVol	347.890	ml/mol	McGowan Calculated Property
Pc	1203.96	kPa	Joback Calculated Property
Inp	[3960.00; 3960.00]
Inp	3960.00		NIST
Inp	3960.00		NIST
Tboil	1139.14	K	Joback Calculated Property
Tc	1394.65	K	Joback Calculated Property
Tfus	737.32	K	Joback Calculated Property
Vc	1.349	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1171.56; 1207.68]	J/mol×K	[1139.14; 1394.65]
Cp,gas	1171.56	J/mol×K	1139.14	Joback Calculated Property
Cp,gas	1181.35	J/mol×K	1181.72	Joback Calculated Property
Cp,gas	1189.52	J/mol×K	1224.31	Joback Calculated Property
Cp,gas	1196.16	J/mol×K	1266.89	Joback Calculated Property
Cp,gas	1201.34	J/mol×K	1309.48	Joback Calculated Property
Cp,gas	1205.15	J/mol×K	1352.06	Joback Calculated Property
Cp,gas	1207.68	J/mol×K	1394.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, decyl 4-nitrobenzyl ester.

Sources

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

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