Chemical Properties of Glutaric acid, monoamide, N-(3,5-di(trifluoromethyl)benzyl)-, octadecyl ester

InChI

InChI=1S/C32H49F6NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-42-30(41)20-18-19-29(40)39-25-26-22-27(31(33,34)35)24-28(23-26)32(36,37)38/h22-24H,2-21,25H2,1H3,(H,39,40)

InChI Key

IYHLWWWOLUDZEY-UHFFFAOYSA-N

Formula

C32H49F6NO3

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

Molecular Weight¹

609.73

• 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	1.4269		Relay (1.0) Calculated Property
ΔfG°	-1124.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-2140.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	85.04	kJ/mol	Joback Calculated Property
ΔvapH°	150.27	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	-9.49		Relay (1.0) Calculated Property
logPoct/wat	10.315		Crippen Calculated Property
McVol	467.590	ml/mol	McGowan Calculated Property
Pc	595.17	kPa	Joback Calculated Property
Inp	[3476.00; 3476.00]
Inp	3476.00		NIST
Inp	3476.00		NIST
Tboil	732.91	K	Relay (1.0) Calculated Property
Tc	944.63	K	Relay (1.0) Calculated Property
Tfus	390.83	K	Relay (1.0) Calculated Property
Vc	1.755	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1696.45; 1821.73]	J/mol×K	[1137.69; 1463.30]
Cp,gas	1696.45	J/mol×K	1137.69	Joback Calculated Property
Cp,gas	1720.43	J/mol×K	1191.96	Joback Calculated Property
Cp,gas	1742.58	J/mol×K	1246.23	Joback Calculated Property
Cp,gas	1763.34	J/mol×K	1300.49	Joback Calculated Property
Cp,gas	1783.16	J/mol×K	1354.76	Joback Calculated Property
Cp,gas	1802.48	J/mol×K	1409.03	Joback Calculated Property
Cp,gas	1821.73	J/mol×K	1463.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N-(3,5-di(trifluoromethyl)benzyl)-, octadecyl ester.

Sources

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

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