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

InChI

InChI=1S/C16H25F5O4/c1-4-5-6-7-8-9-10-24-12(22)14(2,3)13(23)25-11-15(17,18)16(19,20)21/h4-11H2,1-3H3

InChI Key

BHLSJWAKLZSKJA-UHFFFAOYSA-N

Formula

C16H25F5O4

SMILES

CCCCCCCCOC(=O)C(C)(C)C(=O)OCC(F)(F)C(F)(F)F

Molecular Weight¹

376.36

• 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	0.8083		Relay (1.0) Calculated Property
ΔfG°	-1349.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-2024.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.93	kJ/mol	Joback Calculated Property
ΔvapH°	74.31	kJ/mol	Relay (1.0) Calculated Property
IE	10.44	eV	Relay (1.0) Calculated Property
log10WS	-5.45		Relay (1.0) Calculated Property
logPoct/wat	4.657		Crippen Calculated Property
McVol	260.030	ml/mol	McGowan Calculated Property
Pc	1248.61	kPa	Joback Calculated Property
Inp	[1517.00; 1517.00]
Inp	1517.00		NIST
Inp	1517.00		NIST
Tboil	520.86	K	Relay (1.0) Calculated Property
Tc	662.54	K	Relay (1.0) Calculated Property
Tfus	260.01	K	Relay (1.0) Calculated Property
Vc	0.990	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[779.01; 857.28]	J/mol×K	[704.72; 874.31]
Cp,gas	779.01	J/mol×K	704.72	Joback Calculated Property
Cp,gas	794.06	J/mol×K	732.98	Joback Calculated Property
Cp,gas	808.25	J/mol×K	761.25	Joback Calculated Property
Cp,gas	821.63	J/mol×K	789.51	Joback Calculated Property
Cp,gas	834.23	J/mol×K	817.78	Joback Calculated Property
Cp,gas	846.10	J/mol×K	846.04	Joback Calculated Property
Cp,gas	857.28	J/mol×K	874.31	Joback Calculated Property

Similar Compounds

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

Sources

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

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