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

InChI

InChI=1S/C31H53NO3/c1-4-7-10-13-14-17-20-26-35-31(34)29-23-21-22-28(27-29)30(33)32(24-18-15-11-8-5-2)25-19-16-12-9-6-3/h21-23,27H,4-20,24-26H2,1-3H3

InChI Key

BSODHWJZYYQAPX-UHFFFAOYSA-N

Formula

C31H53NO3

SMILES

CCCCCCCCCOC(=O)c1cccc(C(=O)N(CCCCCCC)CCCCCCC)c1

Molecular Weight¹

487.76

• 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	1.3687		Relay (1.0) Calculated Property
ΔfG°	60.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-874.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	77.11	kJ/mol	Joback Calculated Property
ΔvapH°	125.87	kJ/mol	Relay (1.0) Calculated Property
IE	8.59	eV	Relay (1.0) Calculated Property
log10WS	-8.29		Relay (1.0) Calculated Property
logPoct/wat	8.977		Crippen Calculated Property
McVol	442.880	ml/mol	McGowan Calculated Property
Pc	703.21	kPa	Joback Calculated Property
Inp	[3612.00; 3612.00]
Inp	3612.00		NIST
Inp	3612.00		NIST
Tboil	722.95	K	Relay (1.0) Calculated Property
Tc	924.65	K	Relay (1.0) Calculated Property
Tfus	309.80	K	Relay (1.0) Calculated Property
Vc	1.666	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1577.46; 1678.50]	J/mol×K	[1082.94; 1345.36]
Cp,gas	1577.46	J/mol×K	1082.94	Joback Calculated Property
Cp,gas	1598.54	J/mol×K	1126.68	Joback Calculated Property
Cp,gas	1617.71	J/mol×K	1170.41	Joback Calculated Property
Cp,gas	1635.13	J/mol×K	1214.15	Joback Calculated Property
Cp,gas	1650.96	J/mol×K	1257.88	Joback Calculated Property
Cp,gas	1665.36	J/mol×K	1301.62	Joback Calculated Property
Cp,gas	1678.50	J/mol×K	1345.36	Joback Calculated Property

Similar Compounds

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