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

InChI

InChI=1S/C27H45NO3/c1-3-5-7-8-9-10-11-12-13-17-24-31-27(30)22-18-21-26(29)28(23-6-4-2)25-19-15-14-16-20-25/h14-16,19-20H,3-13,17-18,21-24H2,1-2H3

InChI Key

UGHITWJRKCFUQD-UHFFFAOYSA-N

Formula

C27H45NO3

SMILES

CCCCCCCCCCCCOC(=O)CCCC(=O)N(CCCC)c1ccccc1

Molecular Weight¹

431.65

• 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°	36.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-653.93	kJ/mol	Joback Calculated Property
ΔfusH°	67.13	kJ/mol	Joback Calculated Property
ΔvapH°	95.92	kJ/mol	Joback Calculated Property
log10WS	-7.97		Crippen Calculated Property
logPoct/wat	7.454		Crippen Calculated Property
McVol	386.520	ml/mol	McGowan Calculated Property
Pc	879.48	kPa	Joback Calculated Property
Inp	[3173.00; 3173.00]
Inp	3173.00		NIST
Inp	3173.00		NIST
Tboil	986.44	K	Joback Calculated Property
Tc	1209.20	K	Joback Calculated Property
Tfus	575.03	K	Joback Calculated Property
Vc	1.488	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1321.25; 1415.01]	J/mol×K	[986.44; 1209.20]
Cp,gas	1321.25	J/mol×K	986.44	Joback Calculated Property
Cp,gas	1340.15	J/mol×K	1023.57	Joback Calculated Property
Cp,gas	1357.61	J/mol×K	1060.69	Joback Calculated Property
Cp,gas	1373.74	J/mol×K	1097.82	Joback Calculated Property
Cp,gas	1388.62	J/mol×K	1134.94	Joback Calculated Property
Cp,gas	1402.34	J/mol×K	1172.07	Joback Calculated Property
Cp,gas	1415.01	J/mol×K	1209.20	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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