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

InChI

InChI=1S/C28H47NO3/c1-6-7-8-9-10-11-12-13-14-15-19-32-28(31)26-18-16-17-25(20-26)27(30)29(21-23(2)3)22-24(4)5/h16-18,20,23-24H,6-15,19,21-22H2,1-5H3

InChI Key

POGWAMWGVUNNDD-UHFFFAOYSA-N

Formula

C28H47NO3

SMILES

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

Molecular Weight¹

445.68

Other Names

• Isophthalic acid, monoamide, N-diisobutyl-, dodecyl 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°	30.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-696.60	kJ/mol	Joback Calculated Property
ΔfusH°	62.29	kJ/mol	Joback Calculated Property
ΔvapH°	98.03	kJ/mol	Joback Calculated Property
log10WS	-8.49		Crippen Calculated Property
logPoct/wat	7.518		Crippen Calculated Property
McVol	400.610	ml/mol	McGowan Calculated Property
Pc	831.94	kPa	Joback Calculated Property
Inp	[3254.00; 3254.00]
Inp	3254.00		NIST
Inp	3254.00		NIST
Tboil	1013.42	K	Joback Calculated Property
Tc	1242.86	K	Joback Calculated Property
Tfus	568.82	K	Joback Calculated Property
Vc	1.532	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1384.99; 1477.30]	J/mol×K	[1013.42; 1242.86]
Cp,gas	1384.99	J/mol×K	1013.42	Joback Calculated Property
Cp,gas	1403.94	J/mol×K	1051.66	Joback Calculated Property
Cp,gas	1421.34	J/mol×K	1089.90	Joback Calculated Property
Cp,gas	1437.28	J/mol×K	1128.14	Joback Calculated Property
Cp,gas	1451.85	J/mol×K	1166.38	Joback Calculated Property
Cp,gas	1465.16	J/mol×K	1204.62	Joback Calculated Property
Cp,gas	1477.30	J/mol×K	1242.86	Joback Calculated Property

Similar Compounds

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