Chemical Properties of Malonic acid, heptyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C15H20F8O4/c1-2-3-4-5-6-7-26-10(24)8-11(25)27-9-13(18,19)15(22,23)14(20,21)12(16)17/h12H,2-9H2,1H3

InChI Key

NXQYEFBWCQBWPG-UHFFFAOYSA-N

Formula

C15H20F8O4

SMILES

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

Molecular Weight¹

416.30

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8652		Relay (... Calculated Property
ΔfG°	-1944.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-2538.06	kJ/mol	Relay (... Calculated Property
ΔfusH°	39.05	kJ/mol	Joback Calculated Property
ΔvapH°	87.99	kJ/mol	Relay (... Calculated Property
IE	10.22	eV	Relay (... Calculated Property
log10WS	-5.85		Relay (... Calculated Property
logPoct/wat	4.604		Crippen Calculated Property
McVol	251.250	ml/mol	McGowan Calculated Property
Pc	1221.70	kPa	Joback Calculated Property
Inp	[1637.00; 1637.00]
Inp	1637.00		NIST
Inp	1637.00		NIST
Tboil	547.29	K	Relay (... Calculated Property
Tc	690.00	K	Relay (... Calculated Property
Tfus	252.21	K	Relay (... Calculated Property
Vc	0.956	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[747.96; 819.44]	J/mol×K	[679.21; 838.50]
Cp,gas	747.96	J/mol×K	679.21	Joback Calculated Property
Cp,gas	761.69	J/mol×K	705.76	Joback Calculated Property
Cp,gas	774.65	J/mol×K	732.31	Joback Calculated Property
Cp,gas	786.87	J/mol×K	758.85	Joback Calculated Property
Cp,gas	798.39	J/mol×K	785.40	Joback Calculated Property
Cp,gas	809.24	J/mol×K	811.95	Joback Calculated Property
Cp,gas	819.44	J/mol×K	838.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Malonic acid, heptyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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