Chemical Properties of Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C18H26F8O4/c1-11(8-15(2,3)4)9-29-12(27)6-5-7-13(28)30-10-16(21,22)18(25,26)17(23,24)14(19)20/h11,14H,5-10H2,1-4H3

InChI Key

TWMPHXVTAWBRII-UHFFFAOYSA-N

Formula

C18H26F8O4

SMILES

CC(COC(=O)CCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)CC(C)(C)C

Molecular Weight¹

458.38

• 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	0.8686		Relay (... Calculated Property
ΔfG°	-1919.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-2631.09	kJ/mol	Relay (... Calculated Property
ΔfusH°	35.89	kJ/mol	Joback Calculated Property
ΔvapH°	83.75	kJ/mol	Relay (... Calculated Property
IE	9.83	eV	Relay (... Calculated Property
log10WS	-6.39		Relay (... Calculated Property
logPoct/wat	5.486		Crippen Calculated Property
McVol	293.520	ml/mol	McGowan Calculated Property
Pc	1025.97	kPa	Joback Calculated Property
Inp	[1776.00; 1776.00]
Inp	1776.00		NIST
Inp	1776.00		NIST
Tboil	585.51	K	Relay (... Calculated Property
Tc	705.80	K	Relay (... Calculated Property
Tfus	311.04	K	Relay (... Calculated Property
Vc	1.106	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[918.31; 996.73]	J/mol×K	[744.18; 914.43]
Cp,gas	918.31	J/mol×K	744.18	Joback Calculated Property
Cp,gas	933.52	J/mol×K	772.56	Joback Calculated Property
Cp,gas	947.80	J/mol×K	800.93	Joback Calculated Property
Cp,gas	961.21	J/mol×K	829.31	Joback Calculated Property
Cp,gas	973.79	J/mol×K	857.68	Joback Calculated Property
Cp,gas	985.61	J/mol×K	886.06	Joback Calculated Property
Cp,gas	996.73	J/mol×K	914.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,4,4-trimethylpentyl ester.

Sources

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

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