Chemical Properties of Glutaric acid, 1-(cyclohex-2-enyl)hex-3-yl 1,1,1-trifluoroprop-2-yl ester

InChI

InChI=1S/C20H31F3O4/c1-3-8-17(14-13-16-9-5-4-6-10-16)27-19(25)12-7-11-18(24)26-15(2)20(21,22)23/h5,9,15-17H,3-4,6-8,10-14H2,1-2H3

InChI Key

VILHNBUYVUTLEO-UHFFFAOYSA-N

Formula

C20H31F3O4

SMILES

CCCC(CCC1C=CCCC1)OC(=O)CCCC(=O)OC(C)C(F)(F)F

Molecular Weight¹

392.45

• 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°	-882.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-1441.27	kJ/mol	Joback Calculated Property
ΔfusH°	40.97	kJ/mol	Joback Calculated Property
ΔvapH°	74.62	kJ/mol	Joback Calculated Property
log10WS	-6.31		Crippen Calculated Property
logPoct/wat	5.499		Crippen Calculated Property
McVol	297.690	ml/mol	McGowan Calculated Property
Pc	1184.97	kPa	Joback Calculated Property
Inp	[2068.00; 2068.00]
Inp	2068.00		NIST
Inp	2068.00		NIST
Tboil	821.99	K	Joback Calculated Property
Tc	1014.50	K	Joback Calculated Property
Tfus	441.81	K	Joback Calculated Property
Vc	1.153	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[962.45; 1048.85]	J/mol×K	[821.99; 1014.50]
Cp,gas	962.45	J/mol×K	821.99	Joback Calculated Property
Cp,gas	979.73	J/mol×K	854.07	Joback Calculated Property
Cp,gas	995.81	J/mol×K	886.16	Joback Calculated Property
Cp,gas	1010.72	J/mol×K	918.24	Joback Calculated Property
Cp,gas	1024.51	J/mol×K	950.33	Joback Calculated Property
Cp,gas	1037.20	J/mol×K	982.41	Joback Calculated Property
Cp,gas	1048.85	J/mol×K	1014.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1-(cyclohex-2-enyl)hex-3-yl 1,1,1-trifluoroprop-2-yl ester.

Sources

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

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