Chemical Properties of Glutaric acid, hexadecyl 4-(trifluoromethoxy)benzyl ester

InChI

InChI=1S/C29H45F3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-35-27(33)17-16-18-28(34)36-24-25-19-21-26(22-20-25)37-29(30,31)32/h19-22H,2-18,23-24H2,1H3

InChI Key

RUUNUMIBMNPKQX-UHFFFAOYSA-N

Formula

C29H45F3O5

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OCc1ccc(OC(F)(F)F)cc1

Molecular Weight¹

530.66

• 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°	-858.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-1635.73	kJ/mol	Joback Calculated Property
ΔfusH°	73.11	kJ/mol	Joback Calculated Property
ΔvapH°	100.06	kJ/mol	Joback Calculated Property
log10WS	-10.14		Crippen Calculated Property
logPoct/wat	8.823		Crippen Calculated Property
McVol	421.770	ml/mol	McGowan Calculated Property
Pc	719.91	kPa	Joback Calculated Property
Inp	[3278.00; 3278.00]
Inp	3278.00		NIST
Inp	3278.00		NIST
Tboil	1064.16	K	Joback Calculated Property
Tc	1325.62	K	Joback Calculated Property
Tfus	626.27	K	Joback Calculated Property
Vc	1.661	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1480.95; 1559.56]	J/mol×K	[1064.16; 1325.62]
Cp,gas	1480.95	J/mol×K	1064.16	Joback Calculated Property
Cp,gas	1499.05	J/mol×K	1107.74	Joback Calculated Property
Cp,gas	1515.00	J/mol×K	1151.31	Joback Calculated Property
Cp,gas	1528.90	J/mol×K	1194.89	Joback Calculated Property
Cp,gas	1540.88	J/mol×K	1238.47	Joback Calculated Property
Cp,gas	1551.06	J/mol×K	1282.04	Joback Calculated Property
Cp,gas	1559.56	J/mol×K	1325.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hexadecyl 4-(trifluoromethoxy)benzyl ester.

Sources

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

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