Chemical Properties of Succinic acid, 2-chloro-6-fluorophenyl 2,4-dimethylpent-3-yl ester

InChI

InChI=1S/C17H22ClFO4/c1-10(2)16(11(3)4)22-14(20)8-9-15(21)23-17-12(18)6-5-7-13(17)19/h5-7,10-11,16H,8-9H2,1-4H3

InChI Key

JLMAWKVGIYNTBP-UHFFFAOYSA-N

Formula

C17H22ClFO4

SMILES

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

Molecular Weight¹

344.81

• 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°	-496.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-897.91	kJ/mol	Joback Calculated Property
ΔfusH°	35.33	kJ/mol	Joback Calculated Property
ΔvapH°	77.75	kJ/mol	Joback Calculated Property
log10WS	-5.06		Crippen Calculated Property
logPoct/wat	4.388		Crippen Calculated Property
McVol	255.520	ml/mol	McGowan Calculated Property
Pc	1580.97	kPa	Joback Calculated Property
Inp	[2149.00; 2149.00]
Inp	2149.00		NIST
Inp	2149.00		NIST
Tboil	812.96	K	Joback Calculated Property
Tc	1019.90	K	Joback Calculated Property
Tfus	462.64	K	Joback Calculated Property
Vc	0.977	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[739.56; 808.79]	J/mol×K	[812.96; 1019.90]
Cp,gas	739.56	J/mol×K	812.96	Joback Calculated Property
Cp,gas	753.74	J/mol×K	847.45	Joback Calculated Property
Cp,gas	766.86	J/mol×K	881.94	Joback Calculated Property
Cp,gas	778.90	J/mol×K	916.43	Joback Calculated Property
Cp,gas	789.90	J/mol×K	950.92	Joback Calculated Property
Cp,gas	799.86	J/mol×K	985.41	Joback Calculated Property
Cp,gas	808.79	J/mol×K	1019.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-chloro-6-fluorophenyl 2,4-dimethylpent-3-yl ester.

Sources

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

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