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

InChI

InChI=1S/C28H47NO3/c1-5-7-9-11-13-20-29(21-14-12-10-8-6-2)27(30)25-18-15-19-26(23-25)28(31)32-22-16-17-24(3)4/h15,18-19,23-24H,5-14,16-17,20-22H2,1-4H3

InChI Key

JJNOIXCRFMIBTA-UHFFFAOYSA-N

Formula

C28H47NO3

SMILES

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

Molecular Weight¹

445.68

• 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	1.2244		Relay (1.0) Calculated Property
ΔfG°	33.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-824.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	65.81	kJ/mol	Joback Calculated Property
ΔvapH°	111.87	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-7.34		Relay (1.0) Calculated Property
logPoct/wat	7.663		Crippen Calculated Property
McVol	400.610	ml/mol	McGowan Calculated Property
Pc	828.11	kPa	Joback Calculated Property
Inp	[3248.00; 3248.00]
Inp	3248.00		NIST
Inp	3248.00		NIST
Tboil	704.04	K	Relay (1.0) Calculated Property
Tc	902.93	K	Relay (1.0) Calculated Property
Tfus	311.47	K	Relay (1.0) Calculated Property
Vc	1.489	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1384.71; 1477.98]	J/mol×K	[1013.86; 1244.32]
Cp,gas	1384.71	J/mol×K	1013.86	Joback Calculated Property
Cp,gas	1403.81	J/mol×K	1052.27	Joback Calculated Property
Cp,gas	1421.36	J/mol×K	1090.68	Joback Calculated Property
Cp,gas	1437.45	J/mol×K	1129.09	Joback Calculated Property
Cp,gas	1452.19	J/mol×K	1167.50	Joback Calculated Property
Cp,gas	1465.66	J/mol×K	1205.91	Joback Calculated Property
Cp,gas	1477.98	J/mol×K	1244.32	Joback Calculated Property

Similar Compounds

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

Sources

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

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