Chemical Properties of Dimethylmalonic acid, 2-chloro-6-fluorophenyl isobutyl ester

InChI

InChI=1S/C15H18ClFO4/c1-9(2)8-20-13(18)15(3,4)14(19)21-12-10(16)6-5-7-11(12)17/h5-7,9H,8H2,1-4H3

InChI Key

PFZBZSSTOKJGPF-UHFFFAOYSA-N

Formula

C15H18ClFO4

SMILES

CC(C)COC(=O)C(C)(C)C(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

316.75

• 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°	-505.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-854.82	kJ/mol	Joback Calculated Property
ΔfusH°	29.78	kJ/mol	Joback Calculated Property
ΔvapH°	72.78	kJ/mol	Joback Calculated Property
log10WS	-4.11		Crippen Calculated Property
logPoct/wat	3.610		Crippen Calculated Property
McVol	227.340	ml/mol	McGowan Calculated Property
Pc	1857.91	kPa	Joback Calculated Property
Inp	[1837.00; 1837.00]
Inp	1837.00		NIST
Inp	1837.00		NIST
Tboil	764.85	K	Joback Calculated Property
Tc	977.53	K	Joback Calculated Property
Tfus	472.52	K	Joback Calculated Property
Vc	0.866	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[629.39; 695.87]	J/mol×K	[764.85; 977.53]
Cp,gas	629.39	J/mol×K	764.85	Joback Calculated Property
Cp,gas	642.88	J/mol×K	800.30	Joback Calculated Property
Cp,gas	655.37	J/mol×K	835.74	Joback Calculated Property
Cp,gas	666.89	J/mol×K	871.19	Joback Calculated Property
Cp,gas	677.46	J/mol×K	906.64	Joback Calculated Property
Cp,gas	687.11	J/mol×K	942.08	Joback Calculated Property
Cp,gas	695.87	J/mol×K	977.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 2-chloro-6-fluorophenyl isobutyl ester.

Sources

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

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