Chemical Properties of Succinic acid, naphth-2-ylmethyl 1-bromo-3,3,3-trifluoroprop-2-yl ester

InChI

InChI=1S/C18H16BrF3O4/c19-10-15(18(20,21)22)26-17(24)8-7-16(23)25-11-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,15H,7-8,10-11H2

InChI Key

UZKUQCUGTQSKPW-UHFFFAOYSA-N

Formula

C18H16BrF3O4

SMILES

O=C(CCC(=O)OC(CBr)C(F)(F)F)OCc1ccc2ccccc2c1

Molecular Weight¹

433.22

• 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	0.8486		Relay (1.0) Calculated Property
ΔfG°	-727.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-1252.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.21	kJ/mol	Joback Calculated Property
ΔvapH°	109.56	kJ/mol	Relay (1.0) Calculated Property
IE	8.52	eV	Relay (1.0) Calculated Property
log10WS	-5.31		Relay (1.0) Calculated Property
logPoct/wat	4.532		Crippen Calculated Property
McVol	258.950	ml/mol	McGowan Calculated Property
Pc	1838.84	kPa	Joback Calculated Property
Inp	[2641.00; 2641.00]
Inp	2641.00		NIST
Inp	2641.00		NIST
Tboil	688.08	K	Relay (1.0) Calculated Property
Tc	876.22	K	Relay (1.0) Calculated Property
Tfus	350.33	K	Relay (1.0) Calculated Property
Vc	0.902	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[747.39; 803.92]	J/mol×K	[874.76; 1092.63]
Cp,gas	747.39	J/mol×K	874.76	Joback Calculated Property
Cp,gas	758.72	J/mol×K	911.07	Joback Calculated Property
Cp,gas	769.17	J/mol×K	947.38	Joback Calculated Property
Cp,gas	778.84	J/mol×K	983.69	Joback Calculated Property
Cp,gas	787.80	J/mol×K	1020.01	Joback Calculated Property
Cp,gas	796.13	J/mol×K	1056.32	Joback Calculated Property
Cp,gas	803.92	J/mol×K	1092.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, naphth-2-ylmethyl 1-bromo-3,3,3-trifluoroprop-2-yl ester.

Sources

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

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