Chemical Properties of Succinic acid, 3-methylbut-2-en-1-yl 2-fluoro-3-(trifluoromethyl)phenyl ester

InChI

InChI=1S/C16H16F4O4/c1-10(2)8-9-23-13(21)6-7-14(22)24-12-5-3-4-11(15(12)17)16(18,19)20/h3-5,8H,6-7,9H2,1-2H3

InChI Key

NNBYDSOYRGNLII-UHFFFAOYSA-N

Formula

C16H16F4O4

SMILES

CC(C)=CCOC(=O)CCC(=O)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

348.29

• 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°	-995.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-1335.34	kJ/mol	Joback Calculated Property
ΔfusH°	39.83	kJ/mol	Joback Calculated Property
ΔvapH°	68.60	kJ/mol	Joback Calculated Property
log10WS	-4.87		Crippen Calculated Property
logPoct/wat	4.040		Crippen Calculated Property
McVol	230.200	ml/mol	McGowan Calculated Property
Pc	1645.76	kPa	Joback Calculated Property
Inp	[1916.00; 1916.00]
Inp	1916.00		NIST
Inp	1916.00		NIST
Tboil	752.59	K	Joback Calculated Property
Tc	945.66	K	Joback Calculated Property
Tfus	451.60	K	Joback Calculated Property
Vc	0.913	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[655.79; 720.55]	J/mol×K	[752.59; 945.66]
Cp,gas	655.79	J/mol×K	752.59	Joback Calculated Property
Cp,gas	668.57	J/mol×K	784.77	Joback Calculated Property
Cp,gas	680.51	J/mol×K	816.95	Joback Calculated Property
Cp,gas	691.65	J/mol×K	849.12	Joback Calculated Property
Cp,gas	702.01	J/mol×K	881.30	Joback Calculated Property
Cp,gas	711.63	J/mol×K	913.48	Joback Calculated Property
Cp,gas	720.55	J/mol×K	945.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-en-1-yl 2-fluoro-3-(trifluoromethyl)phenyl ester.

Sources

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

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