Chemical Properties of Succinic acid, 2,2,3,3-tetrafluoropropyl 4-bromo-2-methoxyphenyl ester

InChI

InChI=1S/C14H13BrF4O5/c1-22-10-6-8(15)2-3-9(10)24-12(21)5-4-11(20)23-7-14(18,19)13(16)17/h2-3,6,13H,4-5,7H2,1H3

InChI Key

CATBKQOXSGOVLV-UHFFFAOYSA-N

Formula

C14H13BrF4O5

SMILES

COc1cc(Br)ccc1OC(=O)CCC(=O)OCC(F)(F)C(F)F

Molecular Weight¹

417.15

• 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°	-1177.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-1512.66	kJ/mol	Joback Calculated Property
ΔfusH°	38.71	kJ/mol	Joback Calculated Property
ΔvapH°	72.56	kJ/mol	Joback Calculated Property
log10WS	-4.65		Crippen Calculated Property
logPoct/wat	3.587		Crippen Calculated Property
McVol	229.690	ml/mol	McGowan Calculated Property
Pc	1940.65	kPa	Joback Calculated Property
Inp	[2135.00; 2135.00]
Inp	2135.00		NIST
Inp	2135.00		NIST
Tboil	790.93	K	Joback Calculated Property
Tc	991.09	K	Joback Calculated Property
Tfus	515.13	K	Joback Calculated Property
Vc	0.894	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[635.57; 688.23]	J/mol×K	[790.93; 991.09]
Cp,gas	635.57	J/mol×K	790.93	Joback Calculated Property
Cp,gas	646.45	J/mol×K	824.29	Joback Calculated Property
Cp,gas	656.46	J/mol×K	857.65	Joback Calculated Property
Cp,gas	665.63	J/mol×K	891.01	Joback Calculated Property
Cp,gas	673.96	J/mol×K	924.37	Joback Calculated Property
Cp,gas	681.49	J/mol×K	957.73	Joback Calculated Property
Cp,gas	688.23	J/mol×K	991.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2,3,3-tetrafluoropropyl 4-bromo-2-methoxyphenyl ester.

Sources

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

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