Chemical Properties of 2-(2-Hydroxyethoxy)phenol, bis(heptafluorobutyrate)

InChI

InChI=1S/C16H8F14O5/c17-11(18,13(21,22)15(25,26)27)9(31)34-6-5-33-7-3-1-2-4-8(7)35-10(32)12(19,20)14(23,24)16(28,29)30/h1-4H,5-6H2

InChI Key

RNBODFJLGRZVJQ-UHFFFAOYSA-N

Formula

C16H8F14O5

SMILES

O=C(OCCOc1ccccc1OC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

546.21

• 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°	-3096.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-3568.37	kJ/mol	Joback Calculated Property
ΔfusH°	36.25	kJ/mol	Joback Calculated Property
ΔvapH°	55.66	kJ/mol	Joback Calculated Property
log10WS	-6.28		Crippen Calculated Property
logPoct/wat	5.180		Crippen Calculated Property
McVol	258.070	ml/mol	McGowan Calculated Property
Pc	1206.47	kPa	Joback Calculated Property
Inp	[1439.00; 1439.00]
Inp	1439.00		NIST
Inp	1439.00		NIST
Tboil	742.54	K	Joback Calculated Property
Tc	913.28	K	Joback Calculated Property
Tfus	498.35	K	Joback Calculated Property
Vc	1.075	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[797.76; 847.29]	J/mol×K	[742.54; 913.28]
Cp,gas	797.76	J/mol×K	742.54	Joback Calculated Property
Cp,gas	807.92	J/mol×K	771.00	Joback Calculated Property
Cp,gas	817.22	J/mol×K	799.45	Joback Calculated Property
Cp,gas	825.74	J/mol×K	827.91	Joback Calculated Property
Cp,gas	833.55	J/mol×K	856.37	Joback Calculated Property
Cp,gas	840.71	J/mol×K	884.82	Joback Calculated Property
Cp,gas	847.29	J/mol×K	913.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(2-Hydroxyethoxy)phenol, bis(heptafluorobutyrate).

Sources

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

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