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

InChI

InChI=1S/C31H49F3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-37-29(35)19-18-20-30(36)38-26-27-21-23-28(24-22-27)39-31(32,33)34/h21-24H,2-20,25-26H2,1H3

InChI Key

MZDGMXHGWNXOEG-UHFFFAOYSA-N

Formula

C31H49F3O5

SMILES

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

Molecular Weight¹

558.71

• 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	1.4244		Relay (1.0) Calculated Property
ΔfG°	-841.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-1834.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	78.29	kJ/mol	Joback Calculated Property
ΔvapH°	138.19	kJ/mol	Relay (1.0) Calculated Property
IE	9.31	eV	Relay (1.0) Calculated Property
log10WS	-8.77		Relay (1.0) Calculated Property
logPoct/wat	9.603		Crippen Calculated Property
McVol	449.950	ml/mol	McGowan Calculated Property
Pc	651.10	kPa	Joback Calculated Property
Inp	[3483.00; 3483.00]
Inp	3483.00		NIST
Inp	3483.00		NIST
Tboil	721.29	K	Relay (1.0) Calculated Property
Tc	870.82	K	Relay (1.0) Calculated Property
Tfus	305.15	K	Relay (1.0) Calculated Property
Vc	1.697	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1607.48; 1686.87]	J/mol×K	[1109.92; 1400.75]
Cp,gas	1607.48	J/mol×K	1109.92	Joback Calculated Property
Cp,gas	1626.67	J/mol×K	1158.39	Joback Calculated Property
Cp,gas	1643.23	J/mol×K	1206.86	Joback Calculated Property
Cp,gas	1657.35	J/mol×K	1255.33	Joback Calculated Property
Cp,gas	1669.21	J/mol×K	1303.81	Joback Calculated Property
Cp,gas	1678.99	J/mol×K	1352.28	Joback Calculated Property
Cp,gas	1686.87	J/mol×K	1400.75	Joback Calculated Property

Similar Compounds

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

Sources

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

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