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

InChI

InChI=1S/C16H20ClFO4/c1-10(16(2,3)4)21-13(19)8-9-14(20)22-15-11(17)6-5-7-12(15)18/h5-7,10H,8-9H2,1-4H3

InChI Key

IYXMIUWMKIONOE-UHFFFAOYSA-N

Formula

C16H20ClFO4

SMILES

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

Molecular Weight¹

330.78

• 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	0.7355		Relay (1.0) Calculated Property
ΔfG°	-497.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-957.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.37	kJ/mol	Joback Calculated Property
ΔvapH°	85.80	kJ/mol	Relay (1.0) Calculated Property
IE	8.89	eV	Relay (1.0) Calculated Property
log10WS	-4.78		Relay (1.0) Calculated Property
logPoct/wat	4.142		Crippen Calculated Property
McVol	241.430	ml/mol	McGowan Calculated Property
Pc	1713.19	kPa	Joback Calculated Property
Inp	[2039.00; 2039.00]
Inp	2039.00		NIST
Inp	2039.00		NIST
Tboil	571.65	K	Relay (1.0) Calculated Property
Tc	807.25	K	Relay (1.0) Calculated Property
Tfus	364.39	K	Relay (1.0) Calculated Property
Vc	0.869	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[684.20; 752.15]	J/mol×K	[787.73; 998.28]
Cp,gas	684.20	J/mol×K	787.73	Joback Calculated Property
Cp,gas	697.99	J/mol×K	822.82	Joback Calculated Property
Cp,gas	710.76	J/mol×K	857.91	Joback Calculated Property
Cp,gas	722.53	J/mol×K	893.01	Joback Calculated Property
Cp,gas	733.33	J/mol×K	928.10	Joback Calculated Property
Cp,gas	743.19	J/mol×K	963.19	Joback Calculated Property
Cp,gas	752.15	J/mol×K	998.28	Joback Calculated Property

Similar Compounds

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

Sources

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

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