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

InChI

InChI=1S/C28H47NO3/c1-4-7-10-13-15-21-29(22-16-14-11-8-5-2)27(30)25-19-18-20-26(24-25)28(31)32-23-17-12-9-6-3/h18-20,24H,4-17,21-23H2,1-3H3

InChI Key

KJRWJJOSYNCZHS-UHFFFAOYSA-N

Formula

C28H47NO3

SMILES

CCCCCCCN(CCCCCCC)C(=O)c1cccc(C(=O)OCCCCCC)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	1.2626		Relay (1.0) Calculated Property
ΔfG°	35.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-811.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	69.34	kJ/mol	Joback Calculated Property
ΔvapH°	115.10	kJ/mol	Relay (1.0) Calculated Property
IE	8.48	eV	Relay (1.0) Calculated Property
log10WS	-7.46		Relay (1.0) Calculated Property
logPoct/wat	7.807		Crippen Calculated Property
McVol	400.610	ml/mol	McGowan Calculated Property
Pc	824.31	kPa	Joback Calculated Property
Inp	[3296.00; 3296.00]
Inp	3296.00		NIST
Inp	3296.00		NIST
Tboil	702.88	K	Relay (1.0) Calculated Property
Tc	905.80	K	Relay (1.0) Calculated Property
Tfus	305.19	K	Relay (1.0) Calculated Property
Vc	1.502	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1384.43; 1478.71]	J/mol×K	[1014.30; 1245.94]
Cp,gas	1384.43	J/mol×K	1014.30	Joback Calculated Property
Cp,gas	1403.69	J/mol×K	1052.91	Joback Calculated Property
Cp,gas	1421.41	J/mol×K	1091.51	Joback Calculated Property
Cp,gas	1437.66	J/mol×K	1130.12	Joback Calculated Property
Cp,gas	1452.57	J/mol×K	1168.73	Joback Calculated Property
Cp,gas	1466.22	J/mol×K	1207.34	Joback Calculated Property
Cp,gas	1478.71	J/mol×K	1245.94	Joback Calculated Property

Similar Compounds

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

Sources

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

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