Chemical Properties of Dimethylmalonic acid, heptyl 2,2,3,3,3-pentafluoropropyl ester

InChI

InChI=1S/C15H23F5O4/c1-4-5-6-7-8-9-23-11(21)13(2,3)12(22)24-10-14(16,17)15(18,19)20/h4-10H2,1-3H3

InChI Key

YEQAAEYTYASDDY-UHFFFAOYSA-N

Formula

C15H23F5O4

SMILES

CCCCCCCOC(=O)C(C)(C)C(=O)OCC(F)(F)C(F)(F)F

Molecular Weight¹

362.33

• 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°	-1357.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-1849.33	kJ/mol	Joback Calculated Property
ΔfusH°	33.34	kJ/mol	Joback Calculated Property
ΔvapH°	59.32	kJ/mol	Joback Calculated Property
log10WS	-4.56		Crippen Calculated Property
logPoct/wat	4.267		Crippen Calculated Property
McVol	245.940	ml/mol	McGowan Calculated Property
Pc	1337.84	kPa	Joback Calculated Property
Inp	[1427.00; 1427.00]
Inp	1427.00		NIST
Inp	1427.00		NIST
Tboil	681.84	K	Joback Calculated Property
Tc	850.44	K	Joback Calculated Property
Tfus	413.34	K	Joback Calculated Property
Vc	0.981	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[723.82; 800.03]	J/mol×K	[681.84; 850.44]
Cp,gas	723.82	J/mol×K	681.84	Joback Calculated Property
Cp,gas	738.48	J/mol×K	709.94	Joback Calculated Property
Cp,gas	752.30	J/mol×K	738.04	Joback Calculated Property
Cp,gas	765.33	J/mol×K	766.14	Joback Calculated Property
Cp,gas	777.60	J/mol×K	794.24	Joback Calculated Property
Cp,gas	789.15	J/mol×K	822.34	Joback Calculated Property
Cp,gas	800.03	J/mol×K	850.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, heptyl 2,2,3,3,3-pentafluoropropyl ester.

Sources

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

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