Chemical Properties of Isophthalic acid, monoamide, N,N-diisobutyl-, octyl ester

InChI

InChI=1S/C24H39NO3/c1-6-7-8-9-10-11-15-28-24(27)22-14-12-13-21(16-22)23(26)25(17-19(2)3)18-20(4)5/h12-14,16,19-20H,6-11,15,17-18H2,1-5H3

InChI Key

XFCNBVHJZLKUCP-UHFFFAOYSA-N

Formula

C24H39NO3

SMILES

CCCCCCCCOC(=O)c1cccc(C(=O)N(CC(C)C)CC(C)C)c1

Molecular Weight¹

389.57

Other Names

• Isophthalic acid, monoamide, N-diisobutyl-, octyl ester

• 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).
• 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
ΔfG°	-2.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-614.04	kJ/mol	Joback Calculated Property
ΔfusH°	51.93	kJ/mol	Joback Calculated Property
ΔvapH°	89.12	kJ/mol	Joback Calculated Property
log10WS	-6.82		Crippen Calculated Property
logPoct/wat	5.958		Crippen Calculated Property
McVol	344.250	ml/mol	McGowan Calculated Property
Pc	1052.09	kPa	Joback Calculated Property
Inp	[2838.00; 2838.00]
Inp	2838.00		NIST
Inp	2838.00		NIST
Tboil	921.90	K	Joback Calculated Property
Tc	1130.66	K	Joback Calculated Property
Tfus	523.74	K	Joback Calculated Property
Vc	1.308	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1133.71; 1221.64]	J/mol×K	[921.90; 1130.66]
Cp,gas	1133.71	J/mol×K	921.90	Joback Calculated Property
Cp,gas	1151.38	J/mol×K	956.69	Joback Calculated Property
Cp,gas	1167.77	J/mol×K	991.49	Joback Calculated Property
Cp,gas	1182.93	J/mol×K	1026.28	Joback Calculated Property
Cp,gas	1196.92	J/mol×K	1061.08	Joback Calculated Property
Cp,gas	1209.80	J/mol×K	1095.87	Joback Calculated Property
Cp,gas	1221.64	J/mol×K	1130.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, monoamide, N,N-diisobutyl-, octyl ester.

Sources

• 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.