Chemical Properties of 1-Naphthaleneacetic acid, 1,1,1-trifluoroprop-2-yl ester

InChI

InChI=1S/C15H13F3O2/c1-10(15(16,17)18)20-14(19)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9H2,1H3

InChI Key

PBMHWLLUYZBYCZ-UHFFFAOYSA-N

Formula

C15H13F3O2

SMILES

CC(OC(=O)Cc1cccc2ccccc12)C(F)(F)F

Molecular Weight¹

282.26

• 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°	-533.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-783.96	kJ/mol	Joback Calculated Property
ΔfusH°	26.37	kJ/mol	Joback Calculated Property
ΔvapH°	58.58	kJ/mol	Joback Calculated Property
log10WS	-4.97		Crippen Calculated Property
logPoct/wat	3.876		Crippen Calculated Property
McVol	191.740	ml/mol	McGowan Calculated Property
Pc	2145.33	kPa	Joback Calculated Property
Inp	[2140.00; 2140.00]
Inp	2140.00		NIST
Inp	2140.00		NIST
Tboil	663.67	K	Joback Calculated Property
Tc	873.06	K	Joback Calculated Property
Tfus	391.80	K	Joback Calculated Property
Vc	0.750	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[512.43; 581.98]	J/mol×K	[663.67; 873.06]
Cp,gas	512.43	J/mol×K	663.67	Joback Calculated Property
Cp,gas	526.32	J/mol×K	698.57	Joback Calculated Property
Cp,gas	539.19	J/mol×K	733.47	Joback Calculated Property
Cp,gas	551.12	J/mol×K	768.37	Joback Calculated Property
Cp,gas	562.19	J/mol×K	803.27	Joback Calculated Property
Cp,gas	572.45	J/mol×K	838.16	Joback Calculated Property
Cp,gas	581.98	J/mol×K	873.06	Joback Calculated Property

Similar Compounds

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

Sources

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

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