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

InChI

InChI=1S/C18H22ClFO4/c1-3-5-6-8-13(4-2)23-16(21)11-12-17(22)24-18-14(19)9-7-10-15(18)20/h4,7,9-10,13H,2-3,5-6,8,11-12H2,1H3

InChI Key

MHARKZZOYGCYRU-UHFFFAOYSA-N

Formula

C18H22ClFO4

SMILES

C=CC(CCCCC)OC(=O)CCC(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

356.82

• 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°	-395.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-782.56	kJ/mol	Joback Calculated Property
ΔfusH°	43.69	kJ/mol	Joback Calculated Property
ΔvapH°	80.08	kJ/mol	Joback Calculated Property
log10WS	-5.82		Crippen Calculated Property
logPoct/wat	4.843		Crippen Calculated Property
McVol	265.310	ml/mol	McGowan Calculated Property
Pc	1496.51	kPa	Joback Calculated Property
Inp	[2318.00; 2318.00]
Inp	2318.00		NIST
Inp	2318.00		NIST
Tboil	833.40	K	Joback Calculated Property
Tc	1037.32	K	Joback Calculated Property
Tfus	502.15	K	Joback Calculated Property
Vc	1.026	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[768.48; 835.41]	J/mol×K	[833.40; 1037.32]
Cp,gas	768.48	J/mol×K	833.40	Joback Calculated Property
Cp,gas	782.11	J/mol×K	867.39	Joback Calculated Property
Cp,gas	794.73	J/mol×K	901.37	Joback Calculated Property
Cp,gas	806.35	J/mol×K	935.36	Joback Calculated Property
Cp,gas	816.99	J/mol×K	969.34	Joback Calculated Property
Cp,gas	826.67	J/mol×K	1003.33	Joback Calculated Property
Cp,gas	835.41	J/mol×K	1037.32	Joback Calculated Property

Similar Compounds

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

Sources

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

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