Chemical Properties of Sebacic acid, 3,5-difluorophenyl tridecyl ester

InChI

InChI=1S/C29H46F2O4/c1-2-3-4-5-6-7-8-9-12-15-18-21-34-28(32)19-16-13-10-11-14-17-20-29(33)35-27-23-25(30)22-26(31)24-27/h22-24H,2-21H2,1H3

InChI Key

LYCMWKVYKGYDKP-UHFFFAOYSA-N

Formula

C29H46F2O4

SMILES

CCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)Oc1cc(F)cc(F)c1

Molecular Weight¹

496.67

• 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	1.3539		Relay (... Calculated Property
ΔfG°	-571.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-1389.47	kJ/mol	Relay (... Calculated Property
ΔfusH°	75.86	kJ/mol	Joback Calculated Property
ΔvapH°	135.24	kJ/mol	Relay (... Calculated Property
IE	9.13	eV	Relay (... Calculated Property
log10WS	-8.79		Relay (... Calculated Property
logPoct/wat	8.845		Crippen Calculated Property
McVol	414.130	ml/mol	McGowan Calculated Property
Pc	730.86	kPa	Joback Calculated Property
Inp	[3368.00; 3368.00]
Inp	3368.00		NIST
Inp	3368.00		NIST
Tboil	689.95	K	Relay (... Calculated Property
Tc	882.91	K	Relay (... Calculated Property
Tfus	329.16	K	Relay (... Calculated Property
Vc	1.579	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1445.41; 1528.09]	J/mol×K	[1050.68; 1305.28]
Cp,gas	1445.41	J/mol×K	1050.68	Joback Calculated Property
Cp,gas	1464.22	J/mol×K	1093.11	Joback Calculated Property
Cp,gas	1480.90	J/mol×K	1135.55	Joback Calculated Property
Cp,gas	1495.53	J/mol×K	1177.98	Joback Calculated Property
Cp,gas	1508.22	J/mol×K	1220.41	Joback Calculated Property
Cp,gas	1519.04	J/mol×K	1262.85	Joback Calculated Property
Cp,gas	1528.09	J/mol×K	1305.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 3,5-difluorophenyl tridecyl ester.

Sources

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

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