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

InChI

InChI=1S/C17H27F5O4/c1-4-7-8-9-10-11-25-13(23)15(5-2,6-3)14(24)26-12-16(18,19)17(20,21)22/h4-12H2,1-3H3

InChI Key

LDCWGWQLXMGCRS-UHFFFAOYSA-N

Formula

C17H27F5O4

SMILES

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

Molecular Weight¹

390.39

• 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°	-1341.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-1890.61	kJ/mol	Joback Calculated Property
ΔfusH°	38.52	kJ/mol	Joback Calculated Property
ΔvapH°	63.78	kJ/mol	Joback Calculated Property
log10WS	-5.40		Crippen Calculated Property
logPoct/wat	5.047		Crippen Calculated Property
McVol	274.120	ml/mol	McGowan Calculated Property
Pc	1168.02	kPa	Joback Calculated Property
Inp	[1541.00; 1541.00]
Inp	1541.00		NIST
Inp	1541.00		NIST
Tboil	727.60	K	Joback Calculated Property
Tc	898.72	K	Joback Calculated Property
Tfus	435.88	K	Joback Calculated Property
Vc	1.093	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[835.25; 915.56]	J/mol×K	[727.60; 898.72]
Cp,gas	835.25	J/mol×K	727.60	Joback Calculated Property
Cp,gas	850.70	J/mol×K	756.12	Joback Calculated Property
Cp,gas	865.27	J/mol×K	784.64	Joback Calculated Property
Cp,gas	878.99	J/mol×K	813.16	Joback Calculated Property
Cp,gas	891.92	J/mol×K	841.68	Joback Calculated Property
Cp,gas	904.10	J/mol×K	870.20	Joback Calculated Property
Cp,gas	915.56	J/mol×K	898.72	Joback Calculated Property

Similar Compounds

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

Sources

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

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