Chemical Properties of Succinic acid, 2-chloro-6-fluorophenyl cis-hex-2-en-1-yl ester

InChI

InChI=1S/C16H18ClFO4/c1-2-3-4-5-11-21-14(19)9-10-15(20)22-16-12(17)7-6-8-13(16)18/h4-8H,2-3,9-11H2,1H3/b5-4-

InChI Key

QKCWGWZFEICSPV-PLNGDYQASA-N

Formula

C16H18ClFO4

SMILES

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

Molecular Weight¹

328.76

• 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°	-417.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-744.21	kJ/mol	Joback Calculated Property
ΔfusH°	43.51	kJ/mol	Joback Calculated Property
ΔvapH°	76.65	kJ/mol	Joback Calculated Property
log10WS	-4.87		Crippen Calculated Property
logPoct/wat	4.064		Crippen Calculated Property
McVol	237.130	ml/mol	McGowan Calculated Property
Pc	1749.21	kPa	Joback Calculated Property
Inp	[2206.00; 2206.00]
Inp	2206.00		NIST
Inp	2206.00		NIST
Tboil	795.56	K	Joback Calculated Property
Tc	1001.35	K	Joback Calculated Property
Tfus	491.29	K	Joback Calculated Property
Vc	0.918	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[656.06; 720.30]	J/mol×K	[795.56; 1001.35]
Cp,gas	656.06	J/mol×K	795.56	Joback Calculated Property
Cp,gas	668.95	J/mol×K	829.86	Joback Calculated Property
Cp,gas	680.93	J/mol×K	864.16	Joback Calculated Property
Cp,gas	692.04	J/mol×K	898.46	Joback Calculated Property
Cp,gas	702.29	J/mol×K	932.75	Joback Calculated Property
Cp,gas	711.70	J/mol×K	967.05	Joback Calculated Property
Cp,gas	720.30	J/mol×K	1001.35	Joback Calculated Property

Similar Compounds

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

Sources

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

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