Chemical Properties of 1,2-Propanediol, bis(heptafluorobutyrate)

InChI

InChI=1S/C11H6F14O4/c1-3(29-5(27)7(14,15)9(18,19)11(23,24)25)2-28-4(26)6(12,13)8(16,17)10(20,21)22/h3H,2H2,1H3

InChI Key

MCZXUJJEJUJKKZ-UHFFFAOYSA-N

Formula

C11H6F14O4

SMILES

CC(COC(=O)C(F)(F)C(F)(F)C(F)(F)F)OC(=O)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°	-3138.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-3563.29	kJ/mol	Joback Calculated Property
ΔfusH°	24.93	kJ/mol	Joback Calculated Property
ΔvapH°	38.79	kJ/mol	Joback Calculated Property
log10WS	-4.84		Crippen Calculated Property
logPoct/wat	4.127		Crippen Calculated Property
McVol	205.510	ml/mol	McGowan Calculated Property
Pc	1381.96	kPa	Joback Calculated Property
Inp	[1049.00; 1049.00]
Inp	1049.00		NIST
Inp	1049.00		NIST
Tboil	573.62	K	Joback Calculated Property
Tc	716.62	K	Joback Calculated Property
Tfus	365.83	K	Joback Calculated Property
Vc	0.879	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[598.60; 653.48]	J/mol×K	[573.62; 716.62]
Cp,gas	598.60	J/mol×K	573.62	Joback Calculated Property
Cp,gas	609.55	J/mol×K	597.45	Joback Calculated Property
Cp,gas	619.72	J/mol×K	621.29	Joback Calculated Property
Cp,gas	629.16	J/mol×K	645.12	Joback Calculated Property
Cp,gas	637.90	J/mol×K	668.96	Joback Calculated Property
Cp,gas	646.00	J/mol×K	692.79	Joback Calculated Property
Cp,gas	653.48	J/mol×K	716.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Propanediol, bis(heptafluorobutyrate).

Sources

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

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