Chemical Properties of Dimethylmalonic acid, hexyl 2,2,3,3-tetrafluoropropyl ester

InChI

InChI=1S/C14H22F4O4/c1-4-5-6-7-8-21-11(19)13(2,3)12(20)22-9-14(17,18)10(15)16/h10H,4-9H2,1-3H3

InChI Key

MIOLBVYLUHPWGC-UHFFFAOYSA-N

Formula

C14H22F4O4

SMILES

CCCCCCOC(=O)C(C)(C)C(=O)OCC(F)(F)C(F)F

Molecular Weight¹

330.32

• 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°	-1176.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-1629.11	kJ/mol	Joback Calculated Property
ΔfusH°	31.56	kJ/mol	Joback Calculated Property
ΔvapH°	58.82	kJ/mol	Joback Calculated Property
log10WS	-3.79		Crippen Calculated Property
logPoct/wat	3.580		Crippen Calculated Property
McVol	230.080	ml/mol	McGowan Calculated Property
Pc	1474.75	kPa	Joback Calculated Property
Inp	[1455.00; 1455.00]
Inp	1455.00		NIST
Inp	1455.00		NIST
Tboil	662.48	K	Joback Calculated Property
Tc	831.89	K	Joback Calculated Property
Tfus	384.06	K	Joback Calculated Property
Vc	0.911	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[659.58; 735.86]	J/mol×K	[662.48; 831.89]
Cp,gas	659.58	J/mol×K	662.48	Joback Calculated Property
Cp,gas	674.16	J/mol×K	690.71	Joback Calculated Property
Cp,gas	687.96	J/mol×K	718.95	Joback Calculated Property
Cp,gas	701.00	J/mol×K	747.18	Joback Calculated Property
Cp,gas	713.31	J/mol×K	775.42	Joback Calculated Property
Cp,gas	724.93	J/mol×K	803.65	Joback Calculated Property
Cp,gas	735.86	J/mol×K	831.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, hexyl 2,2,3,3-tetrafluoropropyl ester.

Sources

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

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