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

InChI

InChI=1S/C14H16F2O4/c1-4-5-19-12(17)14(2,3)13(18)20-11-7-9(15)6-10(16)8-11/h6-8H,4-5H2,1-3H3

InChI Key

FOYYUTDRAJGIMI-UHFFFAOYSA-N

Formula

C14H16F2O4

SMILES

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

Molecular Weight¹

286.27

• 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°	-694.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-1009.27	kJ/mol	Joback Calculated Property
ΔfusH°	29.60	kJ/mol	Joback Calculated Property
ΔvapH°	65.74	kJ/mol	Joback Calculated Property
log10WS	-3.58		Crippen Calculated Property
logPoct/wat	2.850		Crippen Calculated Property
McVol	202.780	ml/mol	McGowan Calculated Property
Pc	1992.98	kPa	Joback Calculated Property
Inp	[1536.00; 1536.00]
Inp	1536.00		NIST
Inp	1536.00		NIST
Tboil	704.25	K	Joback Calculated Property
Tc	904.93	K	Joback Calculated Property
Tfus	446.92	K	Joback Calculated Property
Vc	0.784	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[557.54; 625.44]	J/mol×K	[704.25; 904.93]
Cp,gas	557.54	J/mol×K	704.25	Joback Calculated Property
Cp,gas	570.97	J/mol×K	737.70	Joback Calculated Property
Cp,gas	583.52	J/mol×K	771.14	Joback Calculated Property
Cp,gas	595.23	J/mol×K	804.59	Joback Calculated Property
Cp,gas	606.10	J/mol×K	838.04	Joback Calculated Property
Cp,gas	616.17	J/mol×K	871.49	Joback Calculated Property
Cp,gas	625.44	J/mol×K	904.93	Joback Calculated Property

Similar Compounds

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

Sources

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

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