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

InChI

InChI=1S/C26H43NO3/c1-4-7-10-12-14-19-27(20-15-13-11-8-5-2)25(28)23-17-16-18-24(22-23)26(29)30-21-9-6-3/h16-18,22H,4-15,19-21H2,1-3H3

InChI Key

FQXPEGJUOXCWJB-UHFFFAOYSA-N

Formula

C26H43NO3

SMILES

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

Molecular Weight¹

417.62

• 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°	18.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-644.76	kJ/mol	Joback Calculated Property
ΔfusH°	64.16	kJ/mol	Joback Calculated Property
ΔvapH°	94.35	kJ/mol	Joback Calculated Property
log10WS	-8.14		Crippen Calculated Property
logPoct/wat	7.026		Crippen Calculated Property
McVol	372.430	ml/mol	McGowan Calculated Property
Pc	923.30	kPa	Joback Calculated Property
Inp	[3101.00; 3101.00]
Inp	3101.00		NIST
Inp	3101.00		NIST
Tboil	968.54	K	Joback Calculated Property
Tc	1186.07	K	Joback Calculated Property
Tfus	576.28	K	Joback Calculated Property
Vc	1.431	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1257.68; 1348.66]	J/mol×K	[968.54; 1186.07]
Cp,gas	1257.68	J/mol×K	968.54	Joback Calculated Property
Cp,gas	1276.04	J/mol×K	1004.79	Joback Calculated Property
Cp,gas	1293.03	J/mol×K	1041.05	Joback Calculated Property
Cp,gas	1308.70	J/mol×K	1077.30	Joback Calculated Property
Cp,gas	1323.15	J/mol×K	1113.56	Joback Calculated Property
Cp,gas	1336.44	J/mol×K	1149.81	Joback Calculated Property
Cp,gas	1348.66	J/mol×K	1186.07	Joback Calculated Property

Similar Compounds

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

Sources

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

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