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

InChI

InChI=1S/C25H40F8O4/c1-2-3-4-5-6-9-12-15-18-36-20(34)16-13-10-7-8-11-14-17-21(35)37-19-23(28,29)25(32,33)24(30,31)22(26)27/h22H,2-19H2,1H3

InChI Key

HHXUFYWLDZOBAM-UHFFFAOYSA-N

Formula

C25H40F8O4

SMILES

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

Molecular Weight¹

556.57

• 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°	-1860.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-2649.34	kJ/mol	Joback Calculated Property
ΔfusH°	64.95	kJ/mol	Joback Calculated Property
ΔvapH°	78.74	kJ/mol	Joback Calculated Property
log10WS	-9.27		Crippen Calculated Property
logPoct/wat	8.505		Crippen Calculated Property
McVol	392.150	ml/mol	McGowan Calculated Property
Pc	684.93	kPa	Joback Calculated Property
Inp	[2616.00; 2616.00]
Inp	2616.00		NIST
Inp	2616.00		NIST
Tboil	908.01	K	Joback Calculated Property
Tc	1127.37	K	Joback Calculated Property
Tfus	512.81	K	Joback Calculated Property
Vc	1.589	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1337.48; 1439.60]	J/mol×K	[908.01; 1127.37]
Cp,gas	1337.48	J/mol×K	908.01	Joback Calculated Property
Cp,gas	1357.70	J/mol×K	944.57	Joback Calculated Property
Cp,gas	1376.48	J/mol×K	981.13	Joback Calculated Property
Cp,gas	1393.94	J/mol×K	1017.69	Joback Calculated Property
Cp,gas	1410.20	J/mol×K	1054.25	Joback Calculated Property
Cp,gas	1425.38	J/mol×K	1090.81	Joback Calculated Property
Cp,gas	1439.60	J/mol×K	1127.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, decyl 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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