Chemical Properties of Dimethylmalonic acid, octadecyl 2,2,3,3-tetrafluoropropyl ester

InChI

InChI=1S/C26H46F4O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33-23(31)25(2,3)24(32)34-21-26(29,30)22(27)28/h22H,4-21H2,1-3H3

InChI Key

IYMAKYJUSAXMKV-UHFFFAOYSA-N

Formula

C26H46F4O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)OCC(F)(F)C(F)F

Molecular Weight¹

498.63

• 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	1.1820		Relay (1.0) Calculated Property
ΔfG°	-1075.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-1974.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.64	kJ/mol	Joback Calculated Property
ΔvapH°	117.94	kJ/mol	Relay (1.0) Calculated Property
IE	10.56	eV	Relay (1.0) Calculated Property
log10WS	-7.97		Relay (1.0) Calculated Property
logPoct/wat	8.261		Crippen Calculated Property
McVol	399.160	ml/mol	McGowan Calculated Property
Pc	708.84	kPa	Joback Calculated Property
Inp	[2596.00; 2596.00]
Inp	2596.00		NIST
Inp	2596.00		NIST
Tboil	629.65	K	Relay (1.0) Calculated Property
Tc	803.40	K	Relay (1.0) Calculated Property
Tfus	322.21	K	Relay (1.0) Calculated Property
Vc	1.526	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1372.69; 1476.93]	J/mol×K	[937.04; 1157.15]
Cp,gas	1372.69	J/mol×K	937.04	Joback Calculated Property
Cp,gas	1393.51	J/mol×K	973.72	Joback Calculated Property
Cp,gas	1412.82	J/mol×K	1010.41	Joback Calculated Property
Cp,gas	1430.71	J/mol×K	1047.09	Joback Calculated Property
Cp,gas	1447.30	J/mol×K	1083.78	Joback Calculated Property
Cp,gas	1462.67	J/mol×K	1120.46	Joback Calculated Property
Cp,gas	1476.93	J/mol×K	1157.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, octadecyl 2,2,3,3-tetrafluoropropyl ester.

Sources

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

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