Chemical Properties of Sebacic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tetradecyl ester

InChI

InChI=1S/C29H48F8O4/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-40-24(38)20-17-14-11-12-15-18-21-25(39)41-23-27(32,33)29(36,37)28(34,35)26(30)31/h26H,2-23H2,1H3

InChI Key

DLGIAYAYNDMDBN-UHFFFAOYSA-N

Formula

C29H48F8O4

SMILES

CCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

612.68

• 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	1.3821		Relay (... Calculated Property
ΔfG°	-1826.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-2796.82	kJ/mol	Relay (... Calculated Property
ΔfusH°	75.31	kJ/mol	Joback Calculated Property
ΔvapH°	132.76	kJ/mol	Relay (... Calculated Property
IE	10.19	eV	Relay (... Calculated Property
log10WS	-9.38		Relay (... Calculated Property
logPoct/wat	10.066		Crippen Calculated Property
McVol	448.510	ml/mol	McGowan Calculated Property
Pc	565.55	kPa	Joback Calculated Property
Inp	[3000.00; 3000.00]
Inp	3000.00		NIST
Inp	3000.00		NIST
Tboil	679.17	K	Relay (... Calculated Property
Tc	803.20	K	Relay (... Calculated Property
Tfus	326.21	K	Relay (... Calculated Property
Vc	1.706	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1591.75; 1715.88]	J/mol×K	[999.53; 1275.61]
Cp,gas	1591.75	J/mol×K	999.53	Joback Calculated Property
Cp,gas	1616.63	J/mol×K	1045.54	Joback Calculated Property
Cp,gas	1639.47	J/mol×K	1091.56	Joback Calculated Property
Cp,gas	1660.54	J/mol×K	1137.57	Joback Calculated Property
Cp,gas	1680.12	J/mol×K	1183.58	Joback Calculated Property
Cp,gas	1698.48	J/mol×K	1229.59	Joback Calculated Property
Cp,gas	1715.88	J/mol×K	1275.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tetradecyl ester.

Sources

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

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