Chemical Properties of 2-Ethyl-1-butanol, pentafluoropropionate

InChI

InChI=1S/C9H13F5O2/c1-3-6(4-2)5-16-7(15)8(10,11)9(12,13)14/h6H,3-5H2,1-2H3

InChI Key

QAQCNYKZZWYKAB-UHFFFAOYSA-N

Formula

C9H13F5O2

SMILES

CCC(CC)COC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

248.19

• 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°	-1179.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-1477.22	kJ/mol	Joback Calculated Property
ΔfusH°	18.90	kJ/mol	Joback Calculated Property
ΔvapH°	37.72	kJ/mol	Joback Calculated Property
log10WS	-3.19		Crippen Calculated Property
logPoct/wat	3.163		Crippen Calculated Property
McVol	153.960	ml/mol	McGowan Calculated Property
Pc	2038.23	kPa	Joback Calculated Property
Inp	[839.50; 839.50]
Inp	839.50		NIST
Inp	839.50		NIST
Tboil	471.06	K	Joback Calculated Property
Tc	627.66	K	Joback Calculated Property
Tfus	256.14	K	Joback Calculated Property
Vc	0.625	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[369.62; 436.81]	J/mol×K	[471.06; 627.66]
Cp,gas	369.62	J/mol×K	471.06	Joback Calculated Property
Cp,gas	382.31	J/mol×K	497.16	Joback Calculated Property
Cp,gas	394.39	J/mol×K	523.26	Joback Calculated Property
Cp,gas	405.85	J/mol×K	549.36	Joback Calculated Property
Cp,gas	416.73	J/mol×K	575.46	Joback Calculated Property
Cp,gas	427.04	J/mol×K	601.56	Joback Calculated Property
Cp,gas	436.81	J/mol×K	627.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethyl-1-butanol, pentafluoropropionate.

Sources

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

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