Chemical Properties of 1-Propoxypropan-2-ol, pentafluoropropionate

InChI

InChI=1S/C9H13F5O3/c1-3-4-16-5-6(2)17-7(15)8(10,11)9(12,13)14/h6H,3-5H2,1-2H3

InChI Key

ITZJIAZTWAVNOD-UHFFFAOYSA-N

Formula

C9H13F5O3

SMILES

CCCOCC(C)OC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

264.19

• 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°	-1284.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-1609.44	kJ/mol	Joback Calculated Property
ΔfusH°	20.09	kJ/mol	Joback Calculated Property
ΔvapH°	40.13	kJ/mol	Joback Calculated Property
log10WS	-2.63		Crippen Calculated Property
logPoct/wat	2.542		Crippen Calculated Property
McVol	159.830	ml/mol	McGowan Calculated Property
Pc	2007.30	kPa	Joback Calculated Property
Inp	[935.00; 935.00]
Inp	935.00		NIST
Inp	935.00		NIST
Tboil	493.48	K	Joback Calculated Property
Tc	650.28	K	Joback Calculated Property
Tfus	278.37	K	Joback Calculated Property
Vc	0.643	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[395.32; 461.13]	J/mol×K	[493.48; 650.28]
Cp,gas	395.32	J/mol×K	493.48	Joback Calculated Property
Cp,gas	407.68	J/mol×K	519.61	Joback Calculated Property
Cp,gas	419.46	J/mol×K	545.75	Joback Calculated Property
Cp,gas	430.68	J/mol×K	571.88	Joback Calculated Property
Cp,gas	441.35	J/mol×K	598.02	Joback Calculated Property
Cp,gas	451.50	J/mol×K	624.15	Joback Calculated Property
Cp,gas	461.13	J/mol×K	650.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Propoxypropan-2-ol, pentafluoropropionate.

Sources

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

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