Chemical Properties of Succinic acid, 2-chloro-6-fluorophenyl 3-phenylpropyl ester

InChI

InChI=1S/C19H18ClFO4/c20-15-9-4-10-16(21)19(15)25-18(23)12-11-17(22)24-13-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10H,5,8,11-13H2

InChI Key

GRLHNEGHFRIDEE-UHFFFAOYSA-N

Formula

C19H18ClFO4

SMILES

O=C(CCC(=O)Oc1c(F)cccc1Cl)OCCCc1ccccc1

Molecular Weight¹

364.80

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8590		Relay (1.0) Calculated Property
ΔfG°	-359.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-748.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.12	kJ/mol	Joback Calculated Property
ΔvapH°	113.01	kJ/mol	Relay (1.0) Calculated Property
IE	8.49	eV	Relay (1.0) Calculated Property
log10WS	-5.22		Relay (1.0) Calculated Property
logPoct/wat	4.341		Crippen Calculated Property
McVol	259.940	ml/mol	McGowan Calculated Property
Pc	1736.11	kPa	Joback Calculated Property
Inp	[2672.00; 2672.00]
Inp	2672.00		NIST
Inp	2672.00		NIST
Tboil	646.15	K	Relay (1.0) Calculated Property
Tc	905.15	K	Relay (1.0) Calculated Property
Tfus	332.42	K	Relay (1.0) Calculated Property
Vc	0.950	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[753.55; 809.11]	J/mol×K	[886.72; 1110.00]
Cp,gas	753.55	J/mol×K	886.72	Joback Calculated Property
Cp,gas	765.68	J/mol×K	923.93	Joback Calculated Property
Cp,gas	776.62	J/mol×K	961.15	Joback Calculated Property
Cp,gas	786.40	J/mol×K	998.36	Joback Calculated Property
Cp,gas	795.05	J/mol×K	1035.57	Joback Calculated Property
Cp,gas	802.61	J/mol×K	1072.78	Joback Calculated Property
Cp,gas	809.11	J/mol×K	1110.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-chloro-6-fluorophenyl 3-phenylpropyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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