Chemical Properties of 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic acid, methyl ester

InChI

InChI=1S/C12H7F17O2/c1-31-4(30)2-3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h2-3H2,1H3

InChI Key

CZMPFGNWUIUUEE-UHFFFAOYSA-N

Formula

C12H7F17O2

SMILES

COC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

506.16

• 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	0.6883		Relay (... Calculated Property
ΔfG°	-3472.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-3973.90	kJ/mol	Relay (... Calculated Property
ΔfusH°	22.67	kJ/mol	Joback Calculated Property
ΔvapH°	70.10	kJ/mol	Relay (... Calculated Property
IE	10.67	eV	Relay (... Calculated Property
log10WS	-7.38		Relay (... Calculated Property
logPoct/wat	5.949		Crippen Calculated Property
McVol	217.470	ml/mol	McGowan Calculated Property
Pc	1159.29	kPa	Joback Calculated Property
Inp	[1019.70; 1019.70]
Inp	1019.70		NIST
Inp	1019.70		NIST
Tboil	475.04	K	Relay (... Calculated Property
Tc	609.64	K	Relay (... Calculated Property
Tfus	291.17	K	Relay (... Calculated Property
Vc	0.902	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[624.34; 690.93]	J/mol×K	[512.00; 640.81]
Cp,gas	624.34	J/mol×K	512.00	Joback Calculated Property
Cp,gas	637.53	J/mol×K	533.47	Joback Calculated Property
Cp,gas	649.82	J/mol×K	554.94	Joback Calculated Property
Cp,gas	661.27	J/mol×K	576.41	Joback Calculated Property
Cp,gas	671.91	J/mol×K	597.88	Joback Calculated Property
Cp,gas	681.78	J/mol×K	619.34	Joback Calculated Property
Cp,gas	690.93	J/mol×K	640.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic acid, methyl ester.

Sources

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

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