Chemical Properties of 4-Hydroxyphenethyl alcohol, bis(pentafluoropropionate)

InChI

InChI=1S/C14H8F10O4/c15-11(16,13(19,20)21)9(25)27-6-5-7-1-3-8(4-2-7)28-10(26)12(17,18)14(22,23)24/h1-4H,5-6H2

InChI Key

VBEIAWKZVNXVMQ-UHFFFAOYSA-N

Formula

C14H8F10O4

SMILES

O=C(OCCc1ccc(OC(=O)C(F)(F)C(F)(F)F)cc1)C(F)(F)C(F)(F)F

Molecular Weight¹

430.19

• 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	0.7440		Relay (... Calculated Property
ΔfG°	-2234.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-2729.48	kJ/mol	Relay (... Calculated Property
ΔfusH°	32.39	kJ/mol	Joback Calculated Property
ΔvapH°	82.98	kJ/mol	Relay (... Calculated Property
IE	9.46	eV	Relay (... Calculated Property
log10WS	-6.31		Relay (... Calculated Property
logPoct/wat	4.073		Crippen Calculated Property
McVol	216.940	ml/mol	McGowan Calculated Property
Pc	1564.75	kPa	Joback Calculated Property
Inp	[1317.00; 1317.00]
Inp	1317.00		NIST
Inp	1317.00		NIST
Tboil	515.45	K	Relay (... Calculated Property
Tc	683.09	K	Relay (... Calculated Property
Tfus	299.76	K	Relay (... Calculated Property
Vc	0.825	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[630.71; 683.57]	J/mol×K	[683.74; 856.45]
Cp,gas	630.71	J/mol×K	683.74	Joback Calculated Property
Cp,gas	641.41	J/mol×K	712.53	Joback Calculated Property
Cp,gas	651.28	J/mol×K	741.31	Joback Calculated Property
Cp,gas	660.38	J/mol×K	770.10	Joback Calculated Property
Cp,gas	668.76	J/mol×K	798.88	Joback Calculated Property
Cp,gas	676.47	J/mol×K	827.67	Joback Calculated Property
Cp,gas	683.57	J/mol×K	856.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Hydroxyphenethyl alcohol, bis(pentafluoropropionate).

Sources

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

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