Chemical Properties of 2-Ethylcyclohexanol, heptafluorobutyrate (CAS 959079-92-6)

InChI

InChI=1S/C12H15F7O2/c1-2-7-5-3-4-6-8(7)21-9(20)10(13,14)11(15,16)12(17,18)19/h7-8H,2-6H2,1H3

InChI Key

QUGSZKGFYRCIMJ-UHFFFAOYSA-N

Formula

C12H15F7O2

SMILES

CCC1CCCCC1OC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

324.24

CAS

959079-92-6

• 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°	-1522.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-1900.85	kJ/mol	Joback Calculated Property
ΔfusH°	21.85	kJ/mol	Joback Calculated Property
ΔvapH°	41.98	kJ/mol	Joback Calculated Property
log10WS	-4.76		Crippen Calculated Property
logPoct/wat	4.331		Crippen Calculated Property
McVol	188.910	ml/mol	McGowan Calculated Property
Pc	1721.73	kPa	Joback Calculated Property
Inp	[1079.00; 1079.00]
Inp	1079.00		NIST
Inp	1079.00		NIST
Tboil	550.33	K	Joback Calculated Property
Tc	721.51	K	Joback Calculated Property
Tfus	311.69	K	Joback Calculated Property
Vc	0.756	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[520.28; 607.62]	J/mol×K	[550.33; 721.51]
Cp,gas	520.28	J/mol×K	550.33	Joback Calculated Property
Cp,gas	537.25	J/mol×K	578.86	Joback Calculated Property
Cp,gas	553.20	J/mol×K	607.39	Joback Calculated Property
Cp,gas	568.17	J/mol×K	635.92	Joback Calculated Property
Cp,gas	582.20	J/mol×K	664.45	Joback Calculated Property
Cp,gas	595.34	J/mol×K	692.98	Joback Calculated Property
Cp,gas	607.62	J/mol×K	721.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethylcyclohexanol, heptafluorobutyrate.

Sources

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

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