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

InChI

InChI=1S/C15H18F2O4/c1-4-5-6-20-13(18)15(2,3)14(19)21-12-8-10(16)7-11(17)9-12/h7-9H,4-6H2,1-3H3

InChI Key

WTLCPKVMKGYPCF-UHFFFAOYSA-N

Formula

C15H18F2O4

SMILES

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

Molecular Weight¹

300.30

• 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°	-686.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-1029.91	kJ/mol	Joback Calculated Property
ΔfusH°	32.19	kJ/mol	Joback Calculated Property
ΔvapH°	67.97	kJ/mol	Joback Calculated Property
log10WS	-4.00		Crippen Calculated Property
logPoct/wat	3.240		Crippen Calculated Property
McVol	216.870	ml/mol	McGowan Calculated Property
Pc	1832.54	kPa	Joback Calculated Property
Inp	[1621.00; 1621.00]
Inp	1621.00		NIST
Inp	1621.00		NIST
Tboil	727.13	K	Joback Calculated Property
Tc	925.93	K	Joback Calculated Property
Tfus	458.19	K	Joback Calculated Property
Vc	0.841	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[610.80; 680.73]	J/mol×K	[727.13; 925.93]
Cp,gas	610.80	J/mol×K	727.13	Joback Calculated Property
Cp,gas	624.63	J/mol×K	760.26	Joback Calculated Property
Cp,gas	637.57	J/mol×K	793.40	Joback Calculated Property
Cp,gas	649.62	J/mol×K	826.53	Joback Calculated Property
Cp,gas	660.82	J/mol×K	859.66	Joback Calculated Property
Cp,gas	671.18	J/mol×K	892.79	Joback Calculated Property
Cp,gas	680.73	J/mol×K	925.93	Joback Calculated Property

Similar Compounds

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

Sources

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

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