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

InChI

InChI=1S/C10H13F7O2/c1-3-6(4-2)5-19-7(18)8(11,12)9(13,14)10(15,16)17/h6H,3-5H2,1-2H3

InChI Key

HANGFGBMFCYXQZ-UHFFFAOYSA-N

Formula

C10H13F7O2

SMILES

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

Molecular Weight¹

298.20

• 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°	-1558.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-1898.83	kJ/mol	Joback Calculated Property
ΔfusH°	20.24	kJ/mol	Joback Calculated Property
ΔvapH°	37.02	kJ/mol	Joback Calculated Property
log10WS	-3.92		Crippen Calculated Property
logPoct/wat	3.799		Crippen Calculated Property
McVol	171.590	ml/mol	McGowan Calculated Property
Pc	1762.45	kPa	Joback Calculated Property
Inp	[886.80; 886.80]
Inp	886.80		NIST
Inp	886.80		NIST
Tboil	489.25	K	Joback Calculated Property
Tc	639.92	K	Joback Calculated Property
Tfus	271.01	K	Joback Calculated Property
Vc	0.707	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[434.04; 503.25]	J/mol×K	[489.25; 639.92]
Cp,gas	434.04	J/mol×K	489.25	Joback Calculated Property
Cp,gas	447.25	J/mol×K	514.36	Joback Calculated Property
Cp,gas	459.76	J/mol×K	539.47	Joback Calculated Property
Cp,gas	471.59	J/mol×K	564.59	Joback Calculated Property
Cp,gas	482.76	J/mol×K	589.70	Joback Calculated Property
Cp,gas	493.30	J/mol×K	614.81	Joback Calculated Property
Cp,gas	503.25	J/mol×K	639.92	Joback Calculated Property

Similar Compounds

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

Sources

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

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