Chemical Properties of Succinic acid, 2-chloro-6-fluorophenyl 3-methylbut-2-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/h3-5,8H,6-7,9H2,1-2H3

InChI Key

UPGMUEWCXNHIEC-UHFFFAOYSA-N

Formula

C15H16ClFO4

SMILES

CC(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°	-434.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-733.36	kJ/mol	Joback Calculated Property
ΔfusH°	39.61	kJ/mol	Joback Calculated Property
ΔvapH°	74.50	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	1906.90	kPa	Joback Calculated Property
Inp	[2095.00; 2095.00]
Inp	2095.00		NIST
Inp	2095.00		NIST
Tboil	772.56	K	Joback Calculated Property
Tc	982.37	K	Joback Calculated Property
Tfus	466.06	K	Joback Calculated Property
Vc	0.864	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[601.11; 664.16]	J/mol×K	[772.56; 982.37]
Cp,gas	601.11	J/mol×K	772.56	Joback Calculated Property
Cp,gas	613.76	J/mol×K	807.53	Joback Calculated Property
Cp,gas	625.52	J/mol×K	842.50	Joback Calculated Property
Cp,gas	636.42	J/mol×K	877.46	Joback Calculated Property
Cp,gas	646.48	J/mol×K	912.43	Joback Calculated Property
Cp,gas	655.72	J/mol×K	947.40	Joback Calculated Property
Cp,gas	664.16	J/mol×K	982.37	Joback Calculated Property

Similar Compounds

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

Sources

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

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