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

InChI

InChI=1S/C31H53NO3/c1-4-7-10-13-14-17-20-26-35-31(34)29-23-21-22-28(27-29)30(33)32(24-18-15-11-8-5-2)25-19-16-12-9-6-3/h21-23,27H,4-20,24-26H2,1-3H3

InChI Key

BSODHWJZYYQAPX-UHFFFAOYSA-N

Formula

C31H53NO3

SMILES

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

Molecular Weight¹

487.76

• 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°	60.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-747.96	kJ/mol	Joback Calculated Property
ΔfusH°	77.11	kJ/mol	Joback Calculated Property
ΔvapH°	105.48	kJ/mol	Joback Calculated Property
log10WS	-10.23		Crippen Calculated Property
logPoct/wat	8.977		Crippen Calculated Property
McVol	442.880	ml/mol	McGowan Calculated Property
Pc	703.21	kPa	Joback Calculated Property
Inp	[3612.00; 3612.00]
Inp	3612.00		NIST
Inp	3612.00		NIST
Tboil	1082.94	K	Joback Calculated Property
Tc	1345.36	K	Joback Calculated Property
Tfus	632.63	K	Joback Calculated Property
Vc	1.712	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1577.46; 1678.50]	J/mol×K	[1082.94; 1345.36]
Cp,gas	1577.46	J/mol×K	1082.94	Joback Calculated Property
Cp,gas	1598.54	J/mol×K	1126.68	Joback Calculated Property
Cp,gas	1617.71	J/mol×K	1170.41	Joback Calculated Property
Cp,gas	1635.13	J/mol×K	1214.15	Joback Calculated Property
Cp,gas	1650.96	J/mol×K	1257.88	Joback Calculated Property
Cp,gas	1665.36	J/mol×K	1301.62	Joback Calculated Property
Cp,gas	1678.50	J/mol×K	1345.36	Joback Calculated Property

Similar Compounds

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

Sources

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

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