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

InChI

InChI=1S/C27H45NO3/c1-6-7-8-9-10-11-12-13-14-18-31-27(30)25-17-15-16-24(19-25)26(29)28(20-22(2)3)21-23(4)5/h15-17,19,22-23H,6-14,18,20-21H2,1-5H3

InChI Key

PCCHTTQOJLEPNS-UHFFFAOYSA-N

Formula

C27H45NO3

SMILES

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

Molecular Weight¹

431.65

Other Names

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

• 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	1.1625		Relay (1.0) Calculated Property
ΔfG°	22.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-815.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.70	kJ/mol	Joback Calculated Property
ΔvapH°	107.53	kJ/mol	Relay (1.0) Calculated Property
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-7.40		Relay (1.0) Calculated Property
logPoct/wat	7.128		Crippen Calculated Property
McVol	386.520	ml/mol	McGowan Calculated Property
Pc	880.00	kPa	Joback Calculated Property
Inp	[3160.00; 3160.00]
Inp	3160.00		NIST
Inp	3160.00		NIST
Tboil	688.96	K	Relay (1.0) Calculated Property
Tc	890.95	K	Relay (1.0) Calculated Property
Tfus	322.01	K	Relay (1.0) Calculated Property
Vc	1.438	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1321.49; 1412.46]	J/mol×K	[990.54; 1213.22]
Cp,gas	1321.49	J/mol×K	990.54	Joback Calculated Property
Cp,gas	1340.05	J/mol×K	1027.65	Joback Calculated Property
Cp,gas	1357.14	J/mol×K	1064.77	Joback Calculated Property
Cp,gas	1372.84	J/mol×K	1101.88	Joback Calculated Property
Cp,gas	1387.24	J/mol×K	1138.99	Joback Calculated Property
Cp,gas	1400.42	J/mol×K	1176.11	Joback Calculated Property
Cp,gas	1412.46	J/mol×K	1213.22	Joback Calculated Property

Similar Compounds

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

Sources

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

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