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

InChI

InChI=1S/C26H43NO3/c1-5-7-9-11-13-18-27(19-14-12-10-8-6-2)25(28)23-16-15-17-24(20-23)26(29)30-21-22(3)4/h15-17,20,22H,5-14,18-19,21H2,1-4H3

InChI Key

QPFSHALLEYQUPX-UHFFFAOYSA-N

Formula

C26H43NO3

SMILES

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

Molecular Weight¹

417.62

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.1591		Relay (1.0) Calculated Property
ΔfG°	16.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-783.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.63	kJ/mol	Joback Calculated Property
ΔvapH°	104.76	kJ/mol	Relay (1.0) Calculated Property
IE	8.54	eV	Relay (1.0) Calculated Property
log10WS	-6.91		Relay (1.0) Calculated Property
logPoct/wat	6.882		Crippen Calculated Property
McVol	372.430	ml/mol	McGowan Calculated Property
Pc	927.81	kPa	Joback Calculated Property
Inp	[3048.00; 3048.00]
Inp	3048.00		NIST
Inp	3048.00		NIST
Tboil	691.55	K	Relay (1.0) Calculated Property
Tc	888.35	K	Relay (1.0) Calculated Property
Tfus	314.52	K	Relay (1.0) Calculated Property
Vc	1.389	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1258.04; 1348.42]	J/mol×K	[968.10; 1185.30]
Cp,gas	1258.04	J/mol×K	968.10	Joback Calculated Property
Cp,gas	1276.33	J/mol×K	1004.30	Joback Calculated Property
Cp,gas	1293.23	J/mol×K	1040.50	Joback Calculated Property
Cp,gas	1308.81	J/mol×K	1076.70	Joback Calculated Property
Cp,gas	1323.15	J/mol×K	1112.90	Joback Calculated Property
Cp,gas	1336.33	J/mol×K	1149.10	Joback Calculated Property
Cp,gas	1348.42	J/mol×K	1185.30	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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