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

InChI

InChI=1S/C24H38F8O4/c1-2-3-4-5-8-11-14-17-35-19(33)15-12-9-6-7-10-13-16-20(34)36-18-22(27,28)24(31,32)23(29,30)21(25)26/h21H,2-18H2,1H3

InChI Key

PUTJQIJGTHRLTD-UHFFFAOYSA-N

Formula

C24H38F8O4

SMILES

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

Molecular Weight¹

542.54

• 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°	-1869.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-2628.70	kJ/mol	Joback Calculated Property
ΔfusH°	62.36	kJ/mol	Joback Calculated Property
ΔvapH°	76.52	kJ/mol	Joback Calculated Property
log10WS	-8.85		Crippen Calculated Property
logPoct/wat	8.115		Crippen Calculated Property
McVol	378.060	ml/mol	McGowan Calculated Property
Pc	720.69	kPa	Joback Calculated Property
Inp	[2527.00; 2527.00]
Inp	2527.00		NIST
Inp	2527.00		NIST
Tboil	885.13	K	Joback Calculated Property
Tc	1093.97	K	Joback Calculated Property
Tfus	501.54	K	Joback Calculated Property
Vc	1.532	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1275.22; 1373.15]	J/mol×K	[885.13; 1093.97]
Cp,gas	1275.22	J/mol×K	885.13	Joback Calculated Property
Cp,gas	1294.53	J/mol×K	919.94	Joback Calculated Property
Cp,gas	1312.51	J/mol×K	954.74	Joback Calculated Property
Cp,gas	1329.25	J/mol×K	989.55	Joback Calculated Property
Cp,gas	1344.87	J/mol×K	1024.36	Joback Calculated Property
Cp,gas	1359.47	J/mol×K	1059.17	Joback Calculated Property
Cp,gas	1373.15	J/mol×K	1093.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, nonyl 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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