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

InChI

InChI=1S/C32H54F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-25-43-27(41)23-20-17-14-15-18-21-24-28(42)44-26-30(35,36)32(39,40)31(37,38)29(33)34/h29H,2-26H2,1H3

InChI Key

BTHBHPDGBJHCGZ-UHFFFAOYSA-N

Formula

C32H54F8O4

SMILES

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

Molecular Weight¹

654.76

• 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	1.4883		Relay (... Calculated Property
ΔfG°	-1801.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-2854.18	kJ/mol	Relay (... Calculated Property
ΔfusH°	83.09	kJ/mol	Joback Calculated Property
ΔvapH°	144.39	kJ/mol	Relay (... Calculated Property
IE	10.29	eV	Relay (... Calculated Property
log10WS	-10.16		Relay (... Calculated Property
logPoct/wat	11.236		Crippen Calculated Property
McVol	490.780	ml/mol	McGowan Calculated Property
Pc	495.37	kPa	Joback Calculated Property
Inp	[3295.00; 3295.00]
Inp	3295.00		NIST
Inp	3295.00		NIST
Tboil	700.82	K	Relay (... Calculated Property
Tc	825.24	K	Relay (... Calculated Property
Tfus	331.28	K	Relay (... Calculated Property
Vc	1.867	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1787.10; 1937.04]	J/mol×K	[1068.17; 1406.07]
Cp,gas	1787.10	J/mol×K	1068.17	Joback Calculated Property
Cp,gas	1816.87	J/mol×K	1124.49	Joback Calculated Property
Cp,gas	1844.00	J/mol×K	1180.80	Joback Calculated Property
Cp,gas	1869.05	J/mol×K	1237.12	Joback Calculated Property
Cp,gas	1892.55	J/mol×K	1293.44	Joback Calculated Property
Cp,gas	1915.03	J/mol×K	1349.75	Joback Calculated Property
Cp,gas	1937.04	J/mol×K	1406.07	Joback Calculated Property

Similar Compounds

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

Sources

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

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