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

InChI

InChI=1S/C13H10F14O4/c1-5(4-31-7(29)9(16,17)11(20,21)13(25,26)27)2-3-30-6(28)8(14,15)10(18,19)12(22,23)24/h5H,2-4H2,1H3

InChI Key

DSSSASSXAGZFOT-UHFFFAOYSA-N

Formula

C13H10F14O4

SMILES

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

Molecular Weight¹

496.19

• 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°	-3122.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-3604.57	kJ/mol	Joback Calculated Property
ΔfusH°	30.11	kJ/mol	Joback Calculated Property
ΔvapH°	43.24	kJ/mol	Joback Calculated Property
log10WS	-5.33		Crippen Calculated Property
logPoct/wat	4.765		Crippen Calculated Property
McVol	233.690	ml/mol	McGowan Calculated Property
Pc	1203.96	kPa	Joback Calculated Property
Inp	[1088.00; 1088.00]
Inp	1088.00		NIST
Inp	1088.00		NIST
Tboil	619.38	K	Joback Calculated Property
Tc	765.91	K	Joback Calculated Property
Tfus	388.37	K	Joback Calculated Property
Vc	0.992	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[698.71; 757.78]	J/mol×K	[619.38; 765.91]
Cp,gas	698.71	J/mol×K	619.38	Joback Calculated Property
Cp,gas	710.41	J/mol×K	643.80	Joback Calculated Property
Cp,gas	721.31	J/mol×K	668.22	Joback Calculated Property
Cp,gas	731.45	J/mol×K	692.64	Joback Calculated Property
Cp,gas	740.87	J/mol×K	717.06	Joback Calculated Property
Cp,gas	749.64	J/mol×K	741.49	Joback Calculated Property
Cp,gas	757.78	J/mol×K	765.91	Joback Calculated Property

Similar Compounds

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

Sources

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

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