Chemical Properties of Succinic acid, butyl 4-trifluoromethoxybenzyl ester

InChI

InChI=1S/C16H19F3O5/c1-2-3-10-22-14(20)8-9-15(21)23-11-12-4-6-13(7-5-12)24-16(17,18)19/h4-7H,2-3,8-11H2,1H3

InChI Key

RZSWCGLWHJDRJK-UHFFFAOYSA-N

Formula

C16H19F3O5

SMILES

CCCCOC(=O)CCC(=O)OCc1ccc(OC(F)(F)F)cc1

Molecular Weight¹

348.31

• 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°	-967.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-1367.41	kJ/mol	Joback Calculated Property
ΔfusH°	39.44	kJ/mol	Joback Calculated Property
ΔvapH°	71.12	kJ/mol	Joback Calculated Property
log10WS	-4.70		Crippen Calculated Property
logPoct/wat	3.752		Crippen Calculated Property
McVol	238.600	ml/mol	McGowan Calculated Property
Pc	1627.22	kPa	Joback Calculated Property
Inp	[1914.00; 1914.00]
Inp	1914.00		NIST
Inp	1914.00		NIST
Tboil	766.72	K	Joback Calculated Property
Tc	957.65	K	Joback Calculated Property
Tfus	479.76	K	Joback Calculated Property
Vc	0.932	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[701.26; 768.70]	J/mol×K	[766.72; 957.65]
Cp,gas	701.26	J/mol×K	766.72	Joback Calculated Property
Cp,gas	714.75	J/mol×K	798.54	Joback Calculated Property
Cp,gas	727.32	J/mol×K	830.36	Joback Calculated Property
Cp,gas	738.98	J/mol×K	862.19	Joback Calculated Property
Cp,gas	749.75	J/mol×K	894.01	Joback Calculated Property
Cp,gas	759.65	J/mol×K	925.83	Joback Calculated Property
Cp,gas	768.70	J/mol×K	957.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, butyl 4-trifluoromethoxybenzyl ester.

Sources

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

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