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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8086		Relay (1.0) Calculated Property
ΔfG°	-882.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-1591.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.97	kJ/mol	Joback Calculated Property
ΔvapH°	92.85	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-4.90		Relay (1.0) 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	621.98	K	Relay (1.0) Calculated Property
Tc	755.03	K	Relay (1.0) Calculated Property
Tfus	280.07	K	Relay (1.0) Calculated Property
Vc	1.075	m3/kmol	Relay (1.0) 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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.