Chemical Properties of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate

InChI

InChI=1S/C27H47F7O13/c1-36-2-3-37-4-5-38-6-7-39-8-9-40-10-11-41-12-13-42-14-15-43-16-17-44-18-19-45-20-21-46-22-23-47-24(35)25(28,29)26(30,31)27(32,33)34/h2-23H2,1H3

InChI Key

NOLNPPXAZCUTMD-UHFFFAOYSA-N

Formula

C27H47F7O13

SMILES

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

712.64

Other Names

• Undecaethylene glycol monomethyl ether, heptafluorobutyrate
• 3,6,9,12,15,18,21,24,27,30,33-Undecaoxatetratriacont-1-yl heptafluorobutyrate

• 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).
• 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
ΔfG°	-2567.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-3698.85	kJ/mol	Joback Calculated Property
ΔfusH°	80.86	kJ/mol	Joback Calculated Property
ΔvapH°	101.75	kJ/mol	Joback Calculated Property
log10WS	-1.24		Crippen Calculated Property
logPoct/wat	2.175		Crippen Calculated Property
McVol	475.690	ml/mol	McGowan Calculated Property
Pc	564.47	kPa	Joback Calculated Property
Inp	[3276.30; 3276.30]
Inp	3276.30		NIST
Inp	3276.30		NIST
Tboil	1125.27	K	Joback Calculated Property
Tc	1529.53	K	Joback Calculated Property
Tfus	722.13	K	Joback Calculated Property
Vc	1.863	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1632.13; 1732.84]	J/mol×K	[1125.27; 1529.53]
Cp,gas	1722.04	J/mol×K	1125.27	Joback Calculated Property
Cp,gas	1732.38	J/mol×K	1192.65	Joback Calculated Property
Cp,gas	1732.84	J/mol×K	1260.02	Joback Calculated Property
Cp,gas	1723.23	J/mol×K	1327.40	Joback Calculated Property
Cp,gas	1703.36	J/mol×K	1394.78	Joback Calculated Property
Cp,gas	1673.06	J/mol×K	1462.16	Joback Calculated Property
Cp,gas	1632.13	J/mol×K	1529.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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