Chemical Properties of Dimethylmalonic acid, di(2,2,3,4,4,4-hexafluorobutyl) ester

InChI

InChI=1S/C13H12F12O4/c1-9(2,7(26)28-3-10(16,17)5(14)12(20,21)22)8(27)29-4-11(18,19)6(15)13(23,24)25/h5-6H,3-4H2,1-2H3

InChI Key

KNJMSYHWQPHIMV-UHFFFAOYSA-N

Formula

C13H12F12O4

SMILES

CC(C)(C(=O)OCC(F)(F)C(F)C(F)(F)F)C(=O)OCC(F)(F)C(F)C(F)(F)F

Molecular Weight¹

460.21

• 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°	-2737.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-3208.88	kJ/mol	Joback Calculated Property
ΔfusH°	27.84	kJ/mol	Joback Calculated Property
ΔvapH°	45.78	kJ/mol	Joback Calculated Property
log10WS	-4.63		Crippen Calculated Property
logPoct/wat	4.170		Crippen Calculated Property
McVol	230.150	ml/mol	McGowan Calculated Property
Pc	1272.78	kPa	Joback Calculated Property
Inp	[1132.00; 1132.00]
Inp	1132.00		NIST
Inp	1132.00		NIST
Tboil	623.63	K	Joback Calculated Property
Tc	774.43	K	Joback Calculated Property
Tfus	369.77	K	Joback Calculated Property
Vc	0.961	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[679.99; 741.94]	J/mol×K	[623.63; 774.43]
Cp,gas	679.99	J/mol×K	623.63	Joback Calculated Property
Cp,gas	692.15	J/mol×K	648.76	Joback Calculated Property
Cp,gas	703.53	J/mol×K	673.90	Joback Calculated Property
Cp,gas	714.15	J/mol×K	699.03	Joback Calculated Property
Cp,gas	724.06	J/mol×K	724.17	Joback Calculated Property
Cp,gas	733.31	J/mol×K	749.30	Joback Calculated Property
Cp,gas	741.94	J/mol×K	774.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, di(2,2,3,4,4,4-hexafluorobutyl) ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.