Chemical Properties of Sebacic acid, undecyl 1-phenyl-2,2,2-trifluoromethylethyl ester

InChI

InChI=1S/C29H45F3O4/c1-2-3-4-5-6-7-10-13-19-24-35-26(33)22-17-11-8-9-12-18-23-27(34)36-28(29(30,31)32)25-20-15-14-16-21-25/h14-16,20-21,28H,2-13,17-19,22-24H2,1H3

InChI Key

YJLBGUSDJCRPFW-UHFFFAOYSA-N

Formula

C29H45F3O4

SMILES

CCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OC(c1ccccc1)C(F)(F)F

Molecular Weight¹

514.66

• 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°	-746.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-1497.32	kJ/mol	Joback Calculated Property
ΔfusH°	68.78	kJ/mol	Joback Calculated Property
ΔvapH°	96.60	kJ/mol	Joback Calculated Property
log10WS	-9.91		Crippen Calculated Property
logPoct/wat	9.028		Crippen Calculated Property
McVol	415.900	ml/mol	McGowan Calculated Property
Pc	735.62	kPa	Joback Calculated Property
Inp	[2964.00; 2964.00]
Inp	2964.00		NIST
Inp	2964.00		NIST
Tboil	1036.32	K	Joback Calculated Property
Tc	1282.35	K	Joback Calculated Property
Tfus	576.52	K	Joback Calculated Property
Vc	1.637	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1453.49; 1543.53]	J/mol×K	[1036.32; 1282.35]
Cp,gas	1453.49	J/mol×K	1036.32	Joback Calculated Property
Cp,gas	1472.40	J/mol×K	1077.33	Joback Calculated Property
Cp,gas	1489.56	J/mol×K	1118.33	Joback Calculated Property
Cp,gas	1505.13	J/mol×K	1159.34	Joback Calculated Property
Cp,gas	1519.22	J/mol×K	1200.34	Joback Calculated Property
Cp,gas	1531.98	J/mol×K	1241.35	Joback Calculated Property
Cp,gas	1543.53	J/mol×K	1282.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, undecyl 1-phenyl-2,2,2-trifluoromethylethyl ester.

Sources

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

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