Chemical Properties of Phthalic acid, heptyl 4-methyl-3-nitrobenzyl ester

InChI

InChI=1S/C23H27NO6/c1-3-4-5-6-9-14-29-22(25)19-10-7-8-11-20(19)23(26)30-16-18-13-12-17(2)21(15-18)24(27)28/h7-8,10-13,15H,3-6,9,14,16H2,1-2H3

InChI Key

WVORHNIIDKACQP-UHFFFAOYSA-N

Formula

C23H27NO6

SMILES

CCCCCCCOC(=O)c1ccccc1C(=O)OCc1ccc(C)c([N+](=O)[O-])c1

Molecular Weight¹

413.46

• 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°	-93.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-579.76	kJ/mol	Joback Calculated Property
ΔfusH°	59.18	kJ/mol	Joback Calculated Property
ΔvapH°	108.23	kJ/mol	Joback Calculated Property
log10WS	-7.70		Crippen Calculated Property
logPoct/wat	5.387		Crippen Calculated Property
McVol	319.710	ml/mol	McGowan Calculated Property
Pc	1366.68	kPa	Joback Calculated Property
Inp	[3471.00; 3471.00]
Inp	3471.00		NIST
Inp	3471.00		NIST
Tboil	1098.36	K	Joback Calculated Property
Tc	1347.31	K	Joback Calculated Property
Tfus	727.30	K	Joback Calculated Property
Vc	1.238	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1050.28; 1084.87]	J/mol×K	[1098.36; 1347.31]
Cp,gas	1050.28	J/mol×K	1098.36	Joback Calculated Property
Cp,gas	1059.82	J/mol×K	1139.85	Joback Calculated Property
Cp,gas	1067.77	J/mol×K	1181.34	Joback Calculated Property
Cp,gas	1074.20	J/mol×K	1222.84	Joback Calculated Property
Cp,gas	1079.15	J/mol×K	1264.33	Joback Calculated Property
Cp,gas	1082.69	J/mol×K	1305.82	Joback Calculated Property
Cp,gas	1084.87	J/mol×K	1347.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, heptyl 4-methyl-3-nitrobenzyl ester.

Sources

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

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