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

InChI

InChI=1S/C27H47F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-35-23(33)25(5-2,6-3)24(34)36-22-26(28,29)27(30,31)32/h4-22H2,1-3H3

InChI Key

SWNXFVFJSIVWEF-UHFFFAOYSA-N

Formula

C27H47F5O4

SMILES

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

Molecular Weight¹

530.65

• 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°	-1256.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-2097.01	kJ/mol	Joback Calculated Property
ΔfusH°	64.42	kJ/mol	Joback Calculated Property
ΔvapH°	86.03	kJ/mol	Joback Calculated Property
log10WS	-9.58		Crippen Calculated Property
logPoct/wat	8.948		Crippen Calculated Property
McVol	415.020	ml/mol	McGowan Calculated Property
Pc	662.21	kPa	Joback Calculated Property
Inp	[2499.00; 2499.00]
Inp	2499.00		NIST
Inp	2499.00		NIST
Tboil	956.40	K	Joback Calculated Property
Tc	1186.65	K	Joback Calculated Property
Tfus	548.58	K	Joback Calculated Property
Vc	1.653	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1442.75; 1552.17]	J/mol×K	[956.40; 1186.65]
Cp,gas	1442.75	J/mol×K	956.40	Joback Calculated Property
Cp,gas	1464.27	J/mol×K	994.77	Joback Calculated Property
Cp,gas	1484.28	J/mol×K	1033.15	Joback Calculated Property
Cp,gas	1502.93	J/mol×K	1071.52	Joback Calculated Property
Cp,gas	1520.37	J/mol×K	1109.90	Joback Calculated Property
Cp,gas	1536.73	J/mol×K	1148.27	Joback Calculated Property
Cp,gas	1552.17	J/mol×K	1186.65	Joback Calculated Property

Similar Compounds

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

Sources

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

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