Chemical Properties of Sebacic acid, heptyl 1-(pentafluorophenyl)ethyl ester

InChI

InChI=1S/C25H35F5O4/c1-3-4-5-10-13-16-33-18(31)14-11-8-6-7-9-12-15-19(32)34-17(2)20-21(26)23(28)25(30)24(29)22(20)27/h17H,3-16H2,1-2H3

InChI Key

AQGFBYBXBFQIGU-UHFFFAOYSA-N

Formula

C25H35F5O4

SMILES

CCCCCCCOC(=O)CCCCCCCCC(=O)OC(C)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

494.54

• 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°	-1220.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-1855.58	kJ/mol	Joback Calculated Property
ΔfusH°	70.05	kJ/mol	Joback Calculated Property
ΔvapH°	90.67	kJ/mol	Joback Calculated Property
log10WS	-9.23		Crippen Calculated Property
logPoct/wat	7.621		Crippen Calculated Property
McVol	363.080	ml/mol	McGowan Calculated Property
Pc	822.42	kPa	Joback Calculated Property
Inp	[2705.00; 2705.00]
Inp	2705.00		NIST
Inp	2705.00		NIST
Tboil	971.47	K	Joback Calculated Property
Tc	1198.19	K	Joback Calculated Property
Tfus	592.80	K	Joback Calculated Property
Vc	1.460	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1213.54; 1288.83]	J/mol×K	[971.47; 1198.19]
Cp,gas	1213.54	J/mol×K	971.47	Joback Calculated Property
Cp,gas	1230.24	J/mol×K	1009.26	Joback Calculated Property
Cp,gas	1245.23	J/mol×K	1047.04	Joback Calculated Property
Cp,gas	1258.57	J/mol×K	1084.83	Joback Calculated Property
Cp,gas	1270.26	J/mol×K	1122.61	Joback Calculated Property
Cp,gas	1280.33	J/mol×K	1160.40	Joback Calculated Property
Cp,gas	1288.83	J/mol×K	1198.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, heptyl 1-(pentafluorophenyl)ethyl ester.

Sources

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

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