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

InChI

InChI=1S/C29H49NO3/c1-4-7-10-13-16-22-30(23-17-14-11-8-5-2)28(31)26-20-19-21-27(25-26)29(32)33-24-18-15-12-9-6-3/h19-21,25H,4-18,22-24H2,1-3H3

InChI Key

OPIDBDJHDLVIFW-UHFFFAOYSA-N

Formula

C29H49NO3

SMILES

CCCCCCCOC(=O)c1cccc(C(=O)N(CCCCCCC)CCCCCCC)c1

Molecular Weight¹

459.70

• 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°	44.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-706.68	kJ/mol	Joback Calculated Property
ΔfusH°	71.92	kJ/mol	Joback Calculated Property
ΔvapH°	101.03	kJ/mol	Joback Calculated Property
log10WS	-9.39		Crippen Calculated Property
logPoct/wat	8.197		Crippen Calculated Property
McVol	414.700	ml/mol	McGowan Calculated Property
Pc	780.69	kPa	Joback Calculated Property
Inp	[3396.00; 3396.00]
Inp	3396.00		NIST
Inp	3396.00		NIST
Tboil	1037.18	K	Joback Calculated Property
Tc	1277.71	K	Joback Calculated Property
Tfus	610.09	K	Joback Calculated Property
Vc	1.599	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1448.42; 1544.68]	J/mol×K	[1037.18; 1277.71]
Cp,gas	1448.42	J/mol×K	1037.18	Joback Calculated Property
Cp,gas	1468.22	J/mol×K	1077.27	Joback Calculated Property
Cp,gas	1486.37	J/mol×K	1117.36	Joback Calculated Property
Cp,gas	1502.97	J/mol×K	1157.44	Joback Calculated Property
Cp,gas	1518.15	J/mol×K	1197.53	Joback Calculated Property
Cp,gas	1532.01	J/mol×K	1237.62	Joback Calculated Property
Cp,gas	1544.68	J/mol×K	1277.71	Joback Calculated Property

Similar Compounds

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

Sources

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

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