Chemical Properties of (E)-2-butenyl pentaflurobenzoate

InChI

InChI=1S/C11H7F5O2/c1-2-3-4-18-11(17)5-6(12)8(14)10(16)9(15)7(5)13/h2-3H,4H2,1H3/b3-2+

InChI Key

RJSCWKIHRDEMHX-NSCUHMNNSA-N

Formula

C11H7F5O2

SMILES

CC=CCOC(=O)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

266.16

• 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.
• I : 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°	-1021.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-1199.32	kJ/mol	Joback Calculated Property
ΔfusH°	34.73	kJ/mol	Joback Calculated Property
ΔvapH°	50.69	kJ/mol	Joback Calculated Property
log10WS	-4.48		Crippen Calculated Property
logPoct/wat	3.115		Crippen Calculated Property
McVol	154.080	ml/mol	McGowan Calculated Property
Pc	2173.43	kPa	Joback Calculated Property
Inp	[1216.00; 1233.00]
Inp	1228.00		NIST
Inp	1233.00		NIST
Inp	1216.00		NIST
Inp	1228.00		NIST
Inp	1228.00		NIST
I	[1574.00; 1603.00]
I	1586.00		NIST
I	1586.00		NIST
I	1574.00		NIST
I	1603.00		NIST
I	1586.00		NIST
I	1603.00		NIST
Tboil	579.46	K	Joback Calculated Property
Tc	757.46	K	Joback Calculated Property
Tfus	372.78	K	Joback Calculated Property
Vc	0.637	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[365.48; 417.75]	J/mol×K	[579.46; 757.46]
Cp,gas	365.48	J/mol×K	579.46	Joback Calculated Property
Cp,gas	375.26	J/mol×K	609.13	Joback Calculated Property
Cp,gas	384.61	J/mol×K	638.79	Joback Calculated Property
Cp,gas	393.53	J/mol×K	668.46	Joback Calculated Property
Cp,gas	402.02	J/mol×K	698.13	Joback Calculated Property
Cp,gas	410.10	J/mol×K	727.79	Joback Calculated Property
Cp,gas	417.75	J/mol×K	757.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-2-butenyl pentaflurobenzoate.

Sources

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

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