Chemical Properties of Succinic acid, 2-chloro-6-fluorophenyl 1-phenylpropyl ester

InChI

InChI=1S/C19H18ClFO4/c1-2-16(13-7-4-3-5-8-13)24-17(22)11-12-18(23)25-19-14(20)9-6-10-15(19)21/h3-10,16H,2,11-12H2,1H3

InChI Key

ZPIBLXWRPXVQSH-UHFFFAOYSA-N

Formula

C19H18ClFO4

SMILES

CCC(OC(=O)CCC(=O)Oc1c(F)cccc1Cl)c1ccccc1

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	0.7940		Relay (1.0) Calculated Property
ΔfG°	-362.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-763.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.60	kJ/mol	Joback Calculated Property
ΔvapH°	106.61	kJ/mol	Relay (1.0) Calculated Property
IE	8.55	eV	Relay (1.0) Calculated Property
log10WS	-4.91		Relay (1.0) Calculated Property
logPoct/wat	4.859		Crippen Calculated Property
McVol	259.940	ml/mol	McGowan Calculated Property
Pc	1747.74	kPa	Joback Calculated Property
Inp	[2439.00; 2439.00]
Inp	2439.00		NIST
Inp	2439.00		NIST
Tboil	626.20	K	Relay (1.0) Calculated Property
Tc	896.48	K	Relay (1.0) Calculated Property
Tfus	349.18	K	Relay (1.0) Calculated Property
Vc	0.932	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[754.10; 809.72]	J/mol×K	[886.28; 1112.24]
Cp,gas	754.10	J/mol×K	886.28	Joback Calculated Property
Cp,gas	766.34	J/mol×K	923.94	Joback Calculated Property
Cp,gas	777.35	J/mol×K	961.60	Joback Calculated Property
Cp,gas	787.16	J/mol×K	999.26	Joback Calculated Property
Cp,gas	795.81	J/mol×K	1036.92	Joback Calculated Property
Cp,gas	803.31	J/mol×K	1074.58	Joback Calculated Property
Cp,gas	809.72	J/mol×K	1112.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-chloro-6-fluorophenyl 1-phenylpropyl ester.

Sources

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

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