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

InChI

InChI=1S/C15H18ClFO4/c1-9(2)10(3)20-13(18)7-8-14(19)21-15-11(16)5-4-6-12(15)17/h4-6,9-10H,7-8H2,1-3H3

InChI Key

QPNSDBJJIMXYMO-UHFFFAOYSA-N

Formula

C15H18ClFO4

SMILES

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

Molecular Weight¹

316.75

• 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	0.7401		Relay (1.0) Calculated Property
ΔfG°	-510.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-930.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.67	kJ/mol	Joback Calculated Property
ΔvapH°	84.94	kJ/mol	Relay (1.0) Calculated Property
IE	8.86	eV	Relay (1.0) Calculated Property
log10WS	-4.23		Relay (1.0) Calculated Property
logPoct/wat	3.752		Crippen Calculated Property
McVol	227.340	ml/mol	McGowan Calculated Property
Pc	1840.41	kPa	Joback Calculated Property
Inp	[1981.00; 1981.00]
Inp	1981.00		NIST
Inp	1981.00		NIST
Tboil	565.77	K	Relay (1.0) Calculated Property
Tc	795.83	K	Relay (1.0) Calculated Property
Tfus	331.13	K	Relay (1.0) Calculated Property
Vc	0.824	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[627.82; 694.23]	J/mol×K	[767.64; 974.66]
Cp,gas	627.82	J/mol×K	767.64	Joback Calculated Property
Cp,gas	641.27	J/mol×K	802.14	Joback Calculated Property
Cp,gas	653.75	J/mol×K	836.65	Joback Calculated Property
Cp,gas	665.29	J/mol×K	871.15	Joback Calculated Property
Cp,gas	675.87	J/mol×K	905.65	Joback Calculated Property
Cp,gas	685.52	J/mol×K	940.15	Joback Calculated Property
Cp,gas	694.23	J/mol×K	974.66	Joback Calculated Property

Similar Compounds

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

Sources

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

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