Chemical Properties of Dimethylmalonic acid, monochloride, 1-bromo-3,3,3-trifluoroprop-2-yl ester

InChI

InChI=1S/C8H9BrClF3O3/c1-7(2,5(10)14)6(15)16-4(3-9)8(11,12)13/h4H,3H2,1-2H3

InChI Key

FAIJPJUQKQBBPG-UHFFFAOYSA-N

Formula

C8H9BrClF3O3

SMILES

CC(C)(C(=O)Cl)C(=O)OC(CBr)C(F)(F)F

Molecular Weight¹

325.51

• 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°	-925.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-1166.35	kJ/mol	Joback Calculated Property
ΔfusH°	21.23	kJ/mol	Joback Calculated Property
ΔvapH°	54.69	kJ/mol	Joback Calculated Property
log10WS	-2.93		Crippen Calculated Property
logPoct/wat	2.647		Crippen Calculated Property
McVol	167.640	ml/mol	McGowan Calculated Property
Pc	2673.54	kPa	Joback Calculated Property
Inp	[1196.00; 1196.00]
Inp	1196.00		NIST
Inp	1196.00		NIST
Tboil	607.10	K	Joback Calculated Property
Tc	807.93	K	Joback Calculated Property
Tfus	383.34	K	Joback Calculated Property
Vc	0.650	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[392.29; 441.33]	J/mol×K	[607.10; 807.93]
Cp,gas	392.29	J/mol×K	607.10	Joback Calculated Property
Cp,gas	402.20	J/mol×K	640.57	Joback Calculated Property
Cp,gas	411.36	J/mol×K	674.04	Joback Calculated Property
Cp,gas	419.79	J/mol×K	707.52	Joback Calculated Property
Cp,gas	427.57	J/mol×K	740.99	Joback Calculated Property
Cp,gas	434.73	J/mol×K	774.46	Joback Calculated Property
Cp,gas	441.33	J/mol×K	807.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, monochloride, 1-bromo-3,3,3-trifluoroprop-2-yl ester.

Sources

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

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