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

InChI

InChI=1S/C24H39NO3/c1-4-7-9-11-13-18-25(19-14-12-10-8-5-2)23(26)21-16-15-17-22(20-21)24(27)28-6-3/h15-17,20H,4-14,18-19H2,1-3H3

InChI Key

XKSBGGZZLQNYSN-UHFFFAOYSA-N

Formula

C24H39NO3

SMILES

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

Molecular Weight¹

389.57

• 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°	1.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-603.48	kJ/mol	Joback Calculated Property
ΔfusH°	58.98	kJ/mol	Joback Calculated Property
ΔvapH°	89.90	kJ/mol	Joback Calculated Property
log10WS	-7.30		Crippen Calculated Property
logPoct/wat	6.246		Crippen Calculated Property
McVol	344.250	ml/mol	McGowan Calculated Property
Pc	1041.25	kPa	Joback Calculated Property
Inp	[2897.00; 2897.00]
Inp	2897.00		NIST
Inp	2897.00		NIST
Tboil	922.78	K	Joback Calculated Property
Tc	1130.50	K	Joback Calculated Property
Tfus	553.74	K	Joback Calculated Property
Vc	1.319	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1132.85; 1221.19]	J/mol×K	[922.78; 1130.50]
Cp,gas	1132.85	J/mol×K	922.78	Joback Calculated Property
Cp,gas	1150.50	J/mol×K	957.40	Joback Calculated Property
Cp,gas	1166.90	J/mol×K	992.02	Joback Calculated Property
Cp,gas	1182.11	J/mol×K	1026.64	Joback Calculated Property
Cp,gas	1196.19	J/mol×K	1061.26	Joback Calculated Property
Cp,gas	1209.20	J/mol×K	1095.88	Joback Calculated Property
Cp,gas	1221.19	J/mol×K	1130.50	Joback Calculated Property

Similar Compounds

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

Sources

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

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