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

InChI

InChI=1S/C27H44F8O4/c1-2-3-4-5-6-7-8-11-14-17-20-38-22(36)18-15-12-9-10-13-16-19-23(37)39-21-25(30,31)27(34,35)26(32,33)24(28)29/h24H,2-21H2,1H3

InChI Key

URRVNUBITQMNRX-UHFFFAOYSA-N

Formula

C27H44F8O4

SMILES

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

Molecular Weight¹

584.62

• 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°	-1843.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-2690.62	kJ/mol	Joback Calculated Property
ΔfusH°	70.13	kJ/mol	Joback Calculated Property
ΔvapH°	83.20	kJ/mol	Joback Calculated Property
log10WS	-10.11		Crippen Calculated Property
logPoct/wat	9.286		Crippen Calculated Property
McVol	420.330	ml/mol	McGowan Calculated Property
Pc	620.96	kPa	Joback Calculated Property
Inp	[2793.00; 2793.00]
Inp	2793.00		NIST
Inp	2793.00		NIST
Tboil	953.77	K	Joback Calculated Property
Tc	1198.31	K	Joback Calculated Property
Tfus	535.35	K	Joback Calculated Property
Vc	1.700	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1463.63; 1575.53]	J/mol×K	[953.77; 1198.31]
Cp,gas	1463.63	J/mol×K	953.77	Joback Calculated Property
Cp,gas	1485.97	J/mol×K	994.53	Joback Calculated Property
Cp,gas	1506.59	J/mol×K	1035.28	Joback Calculated Property
Cp,gas	1525.67	J/mol×K	1076.04	Joback Calculated Property
Cp,gas	1543.41	J/mol×K	1116.80	Joback Calculated Property
Cp,gas	1559.97	J/mol×K	1157.56	Joback Calculated Property
Cp,gas	1575.53	J/mol×K	1198.31	Joback Calculated Property

Similar Compounds

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

Sources

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

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