Chemical Properties of Glutaric acid, monoamide, N-(1-phenylethyl)-, dodecyl ester

InChI

InChI=1S/C25H41NO3/c1-3-4-5-6-7-8-9-10-11-15-21-29-25(28)20-16-19-24(27)26-22(2)23-17-13-12-14-18-23/h12-14,17-18,22H,3-11,15-16,19-21H2,1-2H3,(H,26,27)

InChI Key

KSZKMEZBMBPFOL-UHFFFAOYSA-N

Formula

C25H41NO3

SMILES

CCCCCCCCCCCCOC(=O)CCCC(=O)NC(C)c1ccccc1

Molecular Weight¹

403.60

• 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	1.1000		Relay (1.0) Calculated Property
ΔfG°	-3.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-777.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.51	kJ/mol	Joback Calculated Property
ΔvapH°	128.71	kJ/mol	Relay (1.0) Calculated Property
IE	8.65	eV	Relay (1.0) Calculated Property
log10WS	-5.88		Relay (1.0) Calculated Property
logPoct/wat	6.498		Crippen Calculated Property
McVol	358.340	ml/mol	McGowan Calculated Property
Pc	1003.35	kPa	Joback Calculated Property
Inp	[3142.00; 3142.00]
Inp	3142.00		NIST
Inp	3142.00		NIST
Tboil	666.52	K	Relay (1.0) Calculated Property
Tc	902.75	K	Relay (1.0) Calculated Property
Tfus	339.42	K	Relay (1.0) Calculated Property
Vc	1.327	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1213.98; 1298.40]	J/mol×K	[977.97; 1197.34]
Cp,gas	1213.98	J/mol×K	977.97	Joback Calculated Property
Cp,gas	1231.23	J/mol×K	1014.53	Joback Calculated Property
Cp,gas	1247.12	J/mol×K	1051.09	Joback Calculated Property
Cp,gas	1261.71	J/mol×K	1087.65	Joback Calculated Property
Cp,gas	1275.07	J/mol×K	1124.21	Joback Calculated Property
Cp,gas	1287.28	J/mol×K	1160.78	Joback Calculated Property
Cp,gas	1298.40	J/mol×K	1197.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N-(1-phenylethyl)-, dodecyl ester.

Sources

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

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