Chemical Properties of Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl dodec-9-yn-1-yl ester

InChI

InChI=1S/C22H30F8O4/c1-2-3-4-5-6-7-8-9-10-11-15-33-17(31)13-12-14-18(32)34-16-20(25,26)22(29,30)21(27,28)19(23)24/h19H,2,5-16H2,1H3

InChI Key

XFBXOELCRLNSRF-UHFFFAOYSA-N

Formula

C22H30F8O4

SMILES

CCC#CCCCCCCCCOC(=O)CCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

510.46

• 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	1.0178		Relay (... Calculated Property
ΔfG°	-1683.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-2417.43	kJ/mol	Relay (... Calculated Property
ΔfusH°	60.31	kJ/mol	Joback Calculated Property
ΔvapH°	105.43	kJ/mol	Relay (... Calculated Property
IE	9.58	eV	Relay (... Calculated Property
log10WS	-7.09		Relay (... Calculated Property
logPoct/wat	6.558		Crippen Calculated Property
McVol	341.280	ml/mol	McGowan Calculated Property
Pc	878.96	kPa	Joback Calculated Property
Inp	[2348.00; 2348.00]
Inp	2348.00		NIST
Inp	2348.00		NIST
Tboil	620.23	K	Relay (... Calculated Property
Tc	771.69	K	Relay (... Calculated Property
Tfus	313.75	K	Relay (... Calculated Property
Vc	1.265	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1101.63; 1184.10]	J/mol×K	[848.37; 1038.98]
Cp,gas	1101.63	J/mol×K	848.37	Joback Calculated Property
Cp,gas	1117.74	J/mol×K	880.14	Joback Calculated Property
Cp,gas	1132.82	J/mol×K	911.91	Joback Calculated Property
Cp,gas	1146.92	J/mol×K	943.67	Joback Calculated Property
Cp,gas	1160.12	J/mol×K	975.44	Joback Calculated Property
Cp,gas	1172.49	J/mol×K	1007.21	Joback Calculated Property
Cp,gas	1184.10	J/mol×K	1038.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl dodec-9-yn-1-yl ester.

Sources

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

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