Chemical Properties of Terephthalic acid, decyl 1,1,1-trifluoroprop-2-yl ester

InChI

InChI=1S/C21H29F3O4/c1-3-4-5-6-7-8-9-10-15-27-19(25)17-11-13-18(14-12-17)20(26)28-16(2)21(22,23)24/h11-14,16H,3-10,15H2,1-2H3

InChI Key

RNPGLGWAIWZWRL-UHFFFAOYSA-N

Formula

C21H29F3O4

SMILES

CCCCCCCCCCOC(=O)c1ccc(C(=O)OC(C)C(F)(F)F)cc1

Molecular Weight¹

402.45

• 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	1.0192		Relay (... Calculated Property
ΔfG°	-823.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-1508.60	kJ/mol	Relay (... Calculated Property
ΔfusH°	47.67	kJ/mol	Joback Calculated Property
ΔvapH°	101.29	kJ/mol	Relay (... Calculated Property
IE	9.76	eV	Relay (... Calculated Property
log10WS	-6.55		Relay (... Calculated Property
logPoct/wat	6.092		Crippen Calculated Property
McVol	303.180	ml/mol	McGowan Calculated Property
Pc	1161.66	kPa	Joback Calculated Property
Inp	[2536.00; 2536.00]
Inp	2536.00		NIST
Inp	2536.00		NIST
Tboil	635.96	K	Relay (... Calculated Property
Tc	799.45	K	Relay (... Calculated Property
Tfus	309.23	K	Relay (... Calculated Property
Vc	1.129	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[960.32; 1037.30]	J/mol×K	[858.26; 1054.92]
Cp,gas	960.32	J/mol×K	858.26	Joback Calculated Property
Cp,gas	975.77	J/mol×K	891.04	Joback Calculated Property
Cp,gas	990.11	J/mol×K	923.81	Joback Calculated Property
Cp,gas	1003.40	J/mol×K	956.59	Joback Calculated Property
Cp,gas	1015.66	J/mol×K	989.37	Joback Calculated Property
Cp,gas	1026.95	J/mol×K	1022.14	Joback Calculated Property
Cp,gas	1037.30	J/mol×K	1054.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, decyl 1,1,1-trifluoroprop-2-yl ester.

Sources

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

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