Chemical Properties of 1,3-Propanediol, bis(heptafluorobutyrate)

InChI

InChI=1S/C11H6F14O4/c12-6(13,8(16,17)10(20,21)22)4(26)28-2-1-3-29-5(27)7(14,15)9(18,19)11(23,24)25/h1-3H2

InChI Key

GHMHMCMIEVQLKF-UHFFFAOYSA-N

Formula

C11H6F14O4

SMILES

O=C(OCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

468.14

• 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°	-3136.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-3558.01	kJ/mol	Joback Calculated Property
ΔfusH°	28.46	kJ/mol	Joback Calculated Property
ΔvapH°	39.18	kJ/mol	Joback Calculated Property
log10WS	-4.73		Crippen Calculated Property
logPoct/wat	4.129		Crippen Calculated Property
McVol	205.510	ml/mol	McGowan Calculated Property
Pc	1373.78	kPa	Joback Calculated Property
Inp	[968.00; 968.00]
Inp	968.00		NIST
Inp	968.00		NIST
Tboil	574.06	K	Joback Calculated Property
Tc	715.55	K	Joback Calculated Property
Tfus	380.83	K	Joback Calculated Property
Vc	0.885	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[598.25; 652.43]	J/mol×K	[574.06; 715.55]
Cp,gas	598.25	J/mol×K	574.06	Joback Calculated Property
Cp,gas	609.02	J/mol×K	597.64	Joback Calculated Property
Cp,gas	619.05	J/mol×K	621.22	Joback Calculated Property
Cp,gas	628.36	J/mol×K	644.81	Joback Calculated Property
Cp,gas	637.01	J/mol×K	668.39	Joback Calculated Property
Cp,gas	645.01	J/mol×K	691.97	Joback Calculated Property
Cp,gas	652.43	J/mol×K	715.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Propanediol, bis(heptafluorobutyrate).

Sources

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

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