Chemical Properties of Dimethylmalonic acid, 3,5-difluorophenyl isohexyl ester

InChI

InChI=1S/C17H22F2O4/c1-11(2)6-5-7-22-15(20)17(3,4)16(21)23-14-9-12(18)8-13(19)10-14/h8-11H,5-7H2,1-4H3

InChI Key

AVWHHQIIRJTIKO-UHFFFAOYSA-N

Formula

C17H22F2O4

SMILES

CC(C)CCCOC(=O)C(C)(C)C(=O)Oc1cc(F)cc(F)c1

Molecular Weight¹

328.35

• 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°	-671.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-1076.47	kJ/mol	Joback Calculated Property
ΔfusH°	33.85	kJ/mol	Joback Calculated Property
ΔvapH°	72.03	kJ/mol	Joback Calculated Property
log10WS	-4.59		Crippen Calculated Property
logPoct/wat	3.876		Crippen Calculated Property
McVol	245.050	ml/mol	McGowan Calculated Property
Pc	1574.70	kPa	Joback Calculated Property
Inp	[1771.00; 1771.00]
Inp	1771.00		NIST
Inp	1771.00		NIST
Tboil	772.45	K	Joback Calculated Property
Tc	971.39	K	Joback Calculated Property
Tfus	465.73	K	Joback Calculated Property
Vc	0.947	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[721.24; 795.03]	J/mol×K	[772.45; 971.39]
Cp,gas	721.24	J/mol×K	772.45	Joback Calculated Property
Cp,gas	735.94	J/mol×K	805.61	Joback Calculated Property
Cp,gas	749.64	J/mol×K	838.76	Joback Calculated Property
Cp,gas	762.37	J/mol×K	871.92	Joback Calculated Property
Cp,gas	774.16	J/mol×K	905.08	Joback Calculated Property
Cp,gas	785.04	J/mol×K	938.24	Joback Calculated Property
Cp,gas	795.03	J/mol×K	971.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 3,5-difluorophenyl isohexyl ester.

Sources

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

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