Chemical Properties of Sebacic acid, decyl 2,5-difluorobenzyl ester

InChI

InChI=1S/C27H42F2O4/c1-2-3-4-5-6-9-12-15-20-32-26(30)16-13-10-7-8-11-14-17-27(31)33-22-23-21-24(28)18-19-25(23)29/h18-19,21H,2-17,20,22H2,1H3

InChI Key

USCHMZXOLCYMLW-UHFFFAOYSA-N

Formula

C27H42F2O4

SMILES

CCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCc1cc(F)ccc1F

Molecular Weight¹

468.62

• 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	1.2458		Relay (1.0) Calculated Property
ΔfG°	-587.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-1326.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	70.68	kJ/mol	Joback Calculated Property
ΔvapH°	128.24	kJ/mol	Relay (1.0) Calculated Property
IE	8.88	eV	Relay (1.0) Calculated Property
log10WS	-7.70		Relay (1.0) Calculated Property
logPoct/wat	7.813		Crippen Calculated Property
McVol	385.950	ml/mol	McGowan Calculated Property
Pc	813.07	kPa	Joback Calculated Property
Inp	[3118.00; 3118.00]
Inp	3118.00		NIST
Inp	3118.00		NIST
Tboil	681.79	K	Relay (1.0) Calculated Property
Tc	868.31	K	Relay (1.0) Calculated Property
Tfus	314.37	K	Relay (1.0) Calculated Property
Vc	1.465	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1319.25; 1401.11]	J/mol×K	[1004.92; 1237.97]
Cp,gas	1319.25	J/mol×K	1004.92	Joback Calculated Property
Cp,gas	1337.11	J/mol×K	1043.76	Joback Calculated Property
Cp,gas	1353.20	J/mol×K	1082.60	Joback Calculated Property
Cp,gas	1367.59	J/mol×K	1121.44	Joback Calculated Property
Cp,gas	1380.33	J/mol×K	1160.28	Joback Calculated Property
Cp,gas	1391.48	J/mol×K	1199.12	Joback Calculated Property
Cp,gas	1401.11	J/mol×K	1237.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, decyl 2,5-difluorobenzyl ester.

Sources

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

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