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

InChI

InChI=1S/C25H41NO3/c1-4-7-9-11-13-18-26(19-14-12-10-8-5-2)24(27)22-16-15-17-23(21-22)25(28)29-20-6-3/h15-17,21H,4-14,18-20H2,1-3H3

InChI Key

MEYFTLOWWJJBQK-UHFFFAOYSA-N

Formula

C25H41NO3

SMILES

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

Molecular Weight¹

403.60

• 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	1.1540		Relay (1.0) Calculated Property
ΔfG°	10.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-749.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.56	kJ/mol	Joback Calculated Property
ΔvapH°	104.06	kJ/mol	Relay (1.0) Calculated Property
IE	8.46	eV	Relay (1.0) Calculated Property
log10WS	-6.76		Relay (1.0) Calculated Property
logPoct/wat	6.636		Crippen Calculated Property
McVol	358.340	ml/mol	McGowan Calculated Property
Pc	979.62	kPa	Joback Calculated Property
Inp	[3002.00; 3002.00]
Inp	3002.00		NIST
Inp	3002.00		NIST
Tboil	685.57	K	Relay (1.0) Calculated Property
Tc	883.46	K	Relay (1.0) Calculated Property
Tfus	305.56	K	Relay (1.0) Calculated Property
Vc	1.339	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1195.00; 1284.59]	J/mol×K	[945.66; 1157.78]
Cp,gas	1195.00	J/mol×K	945.66	Joback Calculated Property
Cp,gas	1212.99	J/mol×K	981.01	Joback Calculated Property
Cp,gas	1229.67	J/mol×K	1016.37	Joback Calculated Property
Cp,gas	1245.10	J/mol×K	1051.72	Joback Calculated Property
Cp,gas	1259.35	J/mol×K	1087.07	Joback Calculated Property
Cp,gas	1272.49	J/mol×K	1122.43	Joback Calculated Property
Cp,gas	1284.59	J/mol×K	1157.78	Joback Calculated Property

Similar Compounds

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

Sources

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

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