Chemical Properties of Glutaric acid, monoamide, N-butyl-N-phenyl-, tetradecyl ester

InChI

InChI=1S/C29H49NO3/c1-3-5-7-8-9-10-11-12-13-14-15-19-26-33-29(32)24-20-23-28(31)30(25-6-4-2)27-21-17-16-18-22-27/h16-18,21-22H,3-15,19-20,23-26H2,1-2H3

InChI Key

LFVDXMVMJNJMRY-UHFFFAOYSA-N

Formula

C29H49NO3

SMILES

CCCCCCCCCCCCCCOC(=O)CCCC(=O)N(CCCC)c1ccccc1

Molecular Weight¹

459.70

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	1.2789		Relay (1.0) Calculated Property
ΔfH°gas	-820.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	72.31	kJ/mol	Joback Calculated Property
ΔvapH°	129.45	kJ/mol	Relay (1.0) Calculated Property
IE	8.27	eV	Relay (1.0) Calculated Property
log10WS	-7.13		Relay (1.0) Calculated Property
logPoct/wat	8.234		Crippen Calculated Property
McVol	414.700	ml/mol	McGowan Calculated Property
Pc	787.27	kPa	Joback Calculated Property
Inp	[3364.00; 3364.00]
Inp	3364.00		NIST
Inp	3364.00		NIST
Tboil	708.36	K	Relay (1.0) Calculated Property
Tc	916.65	K	Relay (1.0) Calculated Property
Tfus	325.68	K	Relay (1.0) Calculated Property
Vc	1.555	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1448.89; 1546.86]	J/mol×K	[1032.20; 1271.29]
Cp,gas	1448.89	J/mol×K	1032.20	Joback Calculated Property
Cp,gas	1468.84	J/mol×K	1072.05	Joback Calculated Property
Cp,gas	1487.17	J/mol×K	1111.90	Joback Calculated Property
Cp,gas	1504.02	J/mol×K	1151.74	Joback Calculated Property
Cp,gas	1519.50	J/mol×K	1191.59	Joback Calculated Property
Cp,gas	1533.74	J/mol×K	1231.44	Joback Calculated Property
Cp,gas	1546.86	J/mol×K	1271.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N-butyl-N-phenyl-, tetradecyl 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.