Chemical Properties of 1,4:3,6-dianhydro-5-deoxy-2-O-(2,2,3,3,3-pentafluoropropanoyl)-D-xylo-hex-5-enitol

InChI

InChI=1S/C9H7F5O4/c10-8(11,9(12,13)14)7(15)18-5-3-17-4-1-2-16-6(4)5/h1-2,4-6H,3H2

InChI Key

WKHAWIGEKZJLAK-UHFFFAOYSA-N

Formula

C9H7F5O4

SMILES

O=C(OC1COC2C=COC21)C(F)(F)C(F)(F)F

Molecular Weight¹

274.14

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.4366		Relay (1.0) Calculated Property
ΔfG°	-1230.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-1609.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.75	kJ/mol	Joback Calculated Property
ΔvapH°	71.00	kJ/mol	Relay (1.0) Calculated Property
IE	9.89	eV	Relay (1.0) Calculated Property
log10WS	-2.95		Relay (1.0) Calculated Property
logPoct/wat	1.407		Crippen Calculated Property
McVol	139.680	ml/mol	McGowan Calculated Property
Pc	2690.21	kPa	Joback Calculated Property
Inp	[1252.00; 1252.00]
Inp	1252.00		NIST
Inp	1252.00		NIST
Tboil	456.54	K	Relay (1.0) Calculated Property
Tc	629.32	K	Relay (1.0) Calculated Property
Tfus	312.72	K	Relay (1.0) Calculated Property
Vc	0.554	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[386.53; 453.15]	J/mol×K	[541.91; 731.80]
Cp,gas	386.53	J/mol×K	541.91	Joback Calculated Property
Cp,gas	399.92	J/mol×K	573.56	Joback Calculated Property
Cp,gas	412.32	J/mol×K	605.21	Joback Calculated Property
Cp,gas	423.78	J/mol×K	636.85	Joback Calculated Property
Cp,gas	434.37	J/mol×K	668.50	Joback Calculated Property
Cp,gas	444.14	J/mol×K	700.15	Joback Calculated Property
Cp,gas	453.15	J/mol×K	731.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,4:3,6-dianhydro-5-deoxy-2-O-(2,2,3,3,3-pentafluoropropanoyl)-D-xylo-hex-5-enitol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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