Chemical Properties of Succinic acid, 2-chloro-6-fluorophenyl 3-methylbut-3-en-1-yl ester

InChI

InChI=1S/C15H16ClFO4/c1-10(2)8-9-20-13(18)6-7-14(19)21-15-11(16)4-3-5-12(15)17/h3-5H,1,6-9H2,2H3

InChI Key

UAGNIXAPXGYMHG-UHFFFAOYSA-N

Formula

C15H16ClFO4

SMILES

C=C(C)CCOC(=O)CCC(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

314.74

• 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°	-426.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-725.15	kJ/mol	Joback Calculated Property
ΔfusH°	38.13	kJ/mol	Joback Calculated Property
ΔvapH°	73.87	kJ/mol	Joback Calculated Property
log10WS	-4.45		Crippen Calculated Property
logPoct/wat	3.674		Crippen Calculated Property
McVol	223.040	ml/mol	McGowan Calculated Property
Pc	1890.36	kPa	Joback Calculated Property
Inp	[2060.00; 2060.00]
Inp	2060.00		NIST
Inp	2060.00		NIST
Tboil	765.08	K	Joback Calculated Property
Tc	971.49	K	Joback Calculated Property
Tfus	469.38	K	Joback Calculated Property
Vc	0.865	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[601.07; 663.90]	J/mol×K	[765.08; 971.49]
Cp,gas	601.07	J/mol×K	765.08	Joback Calculated Property
Cp,gas	613.72	J/mol×K	799.48	Joback Calculated Property
Cp,gas	625.48	J/mol×K	833.88	Joback Calculated Property
Cp,gas	636.36	J/mol×K	868.29	Joback Calculated Property
Cp,gas	646.39	J/mol×K	902.69	Joback Calculated Property
Cp,gas	655.56	J/mol×K	937.09	Joback Calculated Property
Cp,gas	663.90	J/mol×K	971.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-chloro-6-fluorophenyl 3-methylbut-3-en-1-yl ester.

Sources

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

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