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

InChI

InChI=1S/C25H37F3O5/c1-2-3-4-5-6-7-8-9-10-11-19-31-23(29)13-12-14-24(30)32-20-21-15-17-22(18-16-21)33-25(26,27)28/h15-18H,2-14,19-20H2,1H3

InChI Key

UFNKBBBTQLSLFS-UHFFFAOYSA-N

Formula

C25H37F3O5

SMILES

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

Molecular Weight¹

474.55

• 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°	-892.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-1553.17	kJ/mol	Joback Calculated Property
ΔfusH°	62.75	kJ/mol	Joback Calculated Property
ΔvapH°	91.16	kJ/mol	Joback Calculated Property
log10WS	-8.47		Crippen Calculated Property
logPoct/wat	7.263		Crippen Calculated Property
McVol	365.410	ml/mol	McGowan Calculated Property
Pc	894.80	kPa	Joback Calculated Property
Inp	[2876.00; 2876.00]
Inp	2876.00		NIST
Inp	2876.00		NIST
Tboil	972.64	K	Joback Calculated Property
Tc	1193.47	K	Joback Calculated Property
Tfus	581.19	K	Joback Calculated Property
Vc	1.437	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1231.46; 1307.62]	J/mol×K	[972.64; 1193.47]
Cp,gas	1231.46	J/mol×K	972.64	Joback Calculated Property
Cp,gas	1247.80	J/mol×K	1009.45	Joback Calculated Property
Cp,gas	1262.60	J/mol×K	1046.25	Joback Calculated Property
Cp,gas	1275.92	J/mol×K	1083.06	Joback Calculated Property
Cp,gas	1287.83	J/mol×K	1119.86	Joback Calculated Property
Cp,gas	1298.38	J/mol×K	1156.67	Joback Calculated Property
Cp,gas	1307.62	J/mol×K	1193.47	Joback Calculated Property

Similar Compounds

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

Sources

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

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