Chemical Properties of 2-Methyl-1,4-butanediol, bis(pentafluoropropionate)

InChI

InChI=1S/C11H10F10O4/c1-5(4-25-7(23)9(14,15)11(19,20)21)2-3-24-6(22)8(12,13)10(16,17)18/h5H,2-4H2,1H3

InChI Key

QYJMOSQGRXNUBG-UHFFFAOYSA-N

Formula

C11H10F10O4

SMILES

CC(CCOC(=O)C(F)(F)C(F)(F)F)COC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

396.18

• 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°	-2365.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-2761.35	kJ/mol	Joback Calculated Property
ΔfusH°	27.44	kJ/mol	Joback Calculated Property
ΔvapH°	44.65	kJ/mol	Joback Calculated Property
log10WS	-3.86		Crippen Calculated Property
logPoct/wat	3.494		Crippen Calculated Property
McVol	198.430	ml/mol	McGowan Calculated Property
Pc	1540.29	kPa	Joback Calculated Property
Inp	[1017.00; 1017.00]
Inp	1017.00		NIST
Inp	1017.00		NIST
Tboil	583.00	K	Joback Calculated Property
Tc	733.40	K	Joback Calculated Property
Tfus	358.63	K	Joback Calculated Property
Vc	0.830	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[559.54; 618.39]	J/mol×K	[583.00; 733.40]
Cp,gas	559.54	J/mol×K	583.00	Joback Calculated Property
Cp,gas	570.99	J/mol×K	608.07	Joback Calculated Property
Cp,gas	581.75	J/mol×K	633.13	Joback Calculated Property
Cp,gas	591.83	J/mol×K	658.20	Joback Calculated Property
Cp,gas	601.28	J/mol×K	683.26	Joback Calculated Property
Cp,gas	610.12	J/mol×K	708.33	Joback Calculated Property
Cp,gas	618.39	J/mol×K	733.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-1,4-butanediol, bis(pentafluoropropionate).

Sources

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

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