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

InChI

InChI=1S/C28H46F8O4/c1-2-3-4-5-6-7-8-9-12-15-18-21-39-23(37)19-16-13-10-11-14-17-20-24(38)40-22-26(31,32)28(35,36)27(33,34)25(29)30/h25H,2-22H2,1H3

InChI Key

QNCFSAUNKUICCO-UHFFFAOYSA-N

Formula

C28H46F8O4

SMILES

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

Molecular Weight¹

598.65

• 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°	-1835.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-2711.26	kJ/mol	Joback Calculated Property
ΔfusH°	72.72	kJ/mol	Joback Calculated Property
ΔvapH°	85.42	kJ/mol	Joback Calculated Property
log10WS	-10.52		Crippen Calculated Property
logPoct/wat	9.676		Crippen Calculated Property
McVol	434.420	ml/mol	McGowan Calculated Property
Pc	592.28	kPa	Joback Calculated Property
Inp	[2894.00; 2894.00]
Inp	2894.00		NIST
Inp	2894.00		NIST
Tboil	976.65	K	Joback Calculated Property
Tc	1236.10	K	Joback Calculated Property
Tfus	546.62	K	Joback Calculated Property
Vc	1.756	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1527.46; 1645.11]	J/mol×K	[976.65; 1236.10]
Cp,gas	1527.46	J/mol×K	976.65	Joback Calculated Property
Cp,gas	1551.01	J/mol×K	1019.89	Joback Calculated Property
Cp,gas	1572.68	J/mol×K	1063.13	Joback Calculated Property
Cp,gas	1592.71	J/mol×K	1106.37	Joback Calculated Property
Cp,gas	1611.31	J/mol×K	1149.62	Joback Calculated Property
Cp,gas	1628.71	J/mol×K	1192.86	Joback Calculated Property
Cp,gas	1645.11	J/mol×K	1236.10	Joback Calculated Property

Similar Compounds

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

Sources

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

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