Chemical Properties of Isophthalic acid, monoamide, N,N-diheptyl-, pentyl ester

InChI

InChI=1S/C27H45NO3/c1-4-7-10-12-14-20-28(21-15-13-11-8-5-2)26(29)24-18-17-19-25(23-24)27(30)31-22-16-9-6-3/h17-19,23H,4-16,20-22H2,1-3H3

InChI Key

HHDDJKAPAQVUKJ-UHFFFAOYSA-N

Formula

C27H45NO3

SMILES

CCCCCCCN(CCCCCCC)C(=O)c1cccc(C(=O)OCCCCC)c1

Molecular Weight¹

431.65

• 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°	27.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-665.40	kJ/mol	Joback Calculated Property
ΔfusH°	66.75	kJ/mol	Joback Calculated Property
ΔvapH°	96.58	kJ/mol	Joback Calculated Property
log10WS	-8.56		Crippen Calculated Property
logPoct/wat	7.417		Crippen Calculated Property
McVol	386.520	ml/mol	McGowan Calculated Property
Pc	871.71	kPa	Joback Calculated Property
Inp	[3198.00; 3198.00]
Inp	3198.00		NIST
Inp	3198.00		NIST
Tboil	991.42	K	Joback Calculated Property
Tc	1215.43	K	Joback Calculated Property
Tfus	587.55	K	Joback Calculated Property
Vc	1.488	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1320.83; 1413.37]	J/mol×K	[991.42; 1215.43]
Cp,gas	1320.83	J/mol×K	991.42	Joback Calculated Property
Cp,gas	1339.62	J/mol×K	1028.75	Joback Calculated Property
Cp,gas	1356.95	J/mol×K	1066.09	Joback Calculated Property
Cp,gas	1372.90	J/mol×K	1103.42	Joback Calculated Property
Cp,gas	1387.57	J/mol×K	1140.76	Joback Calculated Property
Cp,gas	1401.03	J/mol×K	1178.09	Joback Calculated Property
Cp,gas	1413.37	J/mol×K	1215.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, monoamide, N,N-diheptyl-, pentyl ester.

Sources

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

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