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

InChI

InChI=1S/C20H30F4O4/c1-2-7-16(13-12-15-8-4-3-5-9-15)28-18(26)11-6-10-17(25)27-14-20(23,24)19(21)22/h4,8,15-16,19H,2-3,5-7,9-14H2,1H3

InChI Key

IVFVVYBDFIDZTQ-UHFFFAOYSA-N

Formula

C20H30F4O4

SMILES

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

Molecular Weight¹

410.44

• 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	0.8505		Relay (1.0) Calculated Property
ΔfG°	-1077.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-1735.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.05	kJ/mol	Joback Calculated Property
ΔvapH°	98.59	kJ/mol	Relay (1.0) Calculated Property
IE	9.22	eV	Relay (1.0) Calculated Property
log10WS	-5.32		Relay (1.0) Calculated Property
logPoct/wat	5.449		Crippen Calculated Property
McVol	299.460	ml/mol	McGowan Calculated Property
Pc	1149.10	kPa	Joback Calculated Property
Inp	[2156.00; 2156.00]
Inp	2156.00		NIST
Inp	2156.00		NIST
Tboil	636.33	K	Relay (1.0) Calculated Property
Tc	776.68	K	Relay (1.0) Calculated Property
Tfus	300.39	K	Relay (1.0) Calculated Property
Vc	1.090	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[969.84; 1054.55]	J/mol×K	[821.26; 1010.70]
Cp,gas	969.84	J/mol×K	821.26	Joback Calculated Property
Cp,gas	986.77	J/mol×K	852.83	Joback Calculated Property
Cp,gas	1002.52	J/mol×K	884.41	Joback Calculated Property
Cp,gas	1017.13	J/mol×K	915.98	Joback Calculated Property
Cp,gas	1030.65	J/mol×K	947.55	Joback Calculated Property
Cp,gas	1043.11	J/mol×K	979.12	Joback Calculated Property
Cp,gas	1054.55	J/mol×K	1010.70	Joback Calculated Property

Similar Compounds

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

Sources

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

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