Chemical Properties of Glutaric acid, eicosyl 2,2,3,3,4,4,4-heptafluorobutyl ester

InChI

InChI=1S/C29H49F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-39-25(37)21-20-22-26(38)40-24-27(30,31)28(32,33)29(34,35)36/h2-24H2,1H3

InChI Key

CRKMZXNTODIMTR-UHFFFAOYSA-N

Formula

C29H49F7O4

SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

594.69

• 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	1.3728		Relay (1.0) Calculated Property
ΔfG°	-1629.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-2651.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	75.76	kJ/mol	Joback Calculated Property
ΔvapH°	130.75	kJ/mol	Relay (1.0) Calculated Property
IE	10.33	eV	Relay (1.0) Calculated Property
log10WS	-9.37		Relay (1.0) Calculated Property
logPoct/wat	10.118		Crippen Calculated Property
McVol	446.740	ml/mol	McGowan Calculated Property
Pc	575.63	kPa	Joback Calculated Property
Inp	[3184.00; 3184.00]
Inp	3184.00		NIST
Inp	3184.00		NIST
Tboil	674.74	K	Relay (1.0) Calculated Property
Tc	773.97	K	Relay (1.0) Calculated Property
Tfus	302.24	K	Relay (1.0) Calculated Property
Vc	1.698	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1584.80; 1708.89]	J/mol×K	[1000.70; 1272.13]
Cp,gas	1584.80	J/mol×K	1000.70	Joback Calculated Property
Cp,gas	1609.52	J/mol×K	1045.94	Joback Calculated Property
Cp,gas	1632.28	J/mol×K	1091.18	Joback Calculated Property
Cp,gas	1653.34	J/mol×K	1136.41	Joback Calculated Property
Cp,gas	1672.95	J/mol×K	1181.65	Joback Calculated Property
Cp,gas	1691.39	J/mol×K	1226.89	Joback Calculated Property
Cp,gas	1708.89	J/mol×K	1272.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, eicosyl 2,2,3,3,4,4,4-heptafluorobutyl ester.

Sources

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

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