Chemical Properties of Succinic acid, 4-chloro-3-methylphenyl 2,2,3,4,4,4-hexafluorobutyl ester

InChI

InChI=1S/C15H13ClF6O4/c1-8-6-9(2-3-10(8)16)26-12(24)5-4-11(23)25-7-14(18,19)13(17)15(20,21)22/h2-3,6,13H,4-5,7H2,1H3

InChI Key

HKDGFIMGBVRJKT-UHFFFAOYSA-N

Formula

C15H13ClF6O4

SMILES

Cc1cc(OC(=O)CCC(=O)OCC(F)(F)C(F)C(F)(F)F)ccc1Cl

Molecular Weight¹

406.70

• 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°	-1476.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-1844.12	kJ/mol	Joback Calculated Property
ΔfusH°	37.77	kJ/mol	Joback Calculated Property
ΔvapH°	67.40	kJ/mol	Joback Calculated Property
log10WS	-5.26		Crippen Calculated Property
logPoct/wat	4.413		Crippen Calculated Property
McVol	236.190	ml/mol	McGowan Calculated Property
Pc	1567.23	kPa	Joback Calculated Property
Inp	[1975.00; 1975.00]
Inp	1975.00		NIST
Inp	1975.00		NIST
Tboil	757.97	K	Joback Calculated Property
Tc	946.87	K	Joback Calculated Property
Tfus	477.89	K	Joback Calculated Property
Vc	0.945	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[670.35; 726.51]	J/mol×K	[757.97; 946.87]
Cp,gas	670.35	J/mol×K	757.97	Joback Calculated Property
Cp,gas	681.66	J/mol×K	789.45	Joback Calculated Property
Cp,gas	692.14	J/mol×K	820.94	Joback Calculated Property
Cp,gas	701.83	J/mol×K	852.42	Joback Calculated Property
Cp,gas	710.76	J/mol×K	883.90	Joback Calculated Property
Cp,gas	718.98	J/mol×K	915.39	Joback Calculated Property
Cp,gas	726.51	J/mol×K	946.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-chloro-3-methylphenyl 2,2,3,4,4,4-hexafluorobutyl ester.

Sources

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

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