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

InChI

InChI=1S/C24H39NO3/c1-4-7-9-11-13-18-25(19-14-12-10-8-5-2)23(26)21-16-15-17-22(20-21)24(27)28-6-3/h15-17,20H,4-14,18-19H2,1-3H3

InChI Key

XKSBGGZZLQNYSN-UHFFFAOYSA-N

Formula

C24H39NO3

SMILES

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

Molecular Weight¹

389.58

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	1.1100		Relay (1.0) Calculated Property
ΔfusH°	60.56	kJ/mol	Joback Calculated Property
ΔvapH°	106.31	kJ/mol	Relay (1.0) Calculated Property
IE	8.41	eV	Relay (1.0) Calculated Property
log10WS	-6.52		Relay (1.0) Calculated Property
logPoct/wat	6.246		Crippen Calculated Property
McVol	344.250	ml/mol	McGowan Calculated Property
Pc	1014.24	kPa	Joback Calculated Property
Inp	[2897.00; 2897.00]
Inp	2897.00		NIST
Inp	2897.00		NIST
Tboil	675.90	K	Relay (1.0) Calculated Property
Tc	877.29	K	Relay (1.0) Calculated Property
Tfus	296.58	K	Relay (1.0) Calculated Property
Vc	1.288	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1124.96; 1212.83]	J/mol×K	[904.91; 1109.09]
Cp,gas	1124.96	J/mol×K	904.91	Joback Calculated Property
Cp,gas	1142.61	J/mol×K	938.94	Joback Calculated Property
Cp,gas	1158.98	J/mol×K	972.97	Joback Calculated Property
Cp,gas	1174.12	J/mol×K	1007.00	Joback Calculated Property
Cp,gas	1188.11	J/mol×K	1041.03	Joback Calculated Property
Cp,gas	1200.99	J/mol×K	1075.06	Joback Calculated Property
Cp,gas	1212.83	J/mol×K	1109.09	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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