Chemical Properties of 5-Hydroxyindole, N,O-bis(heptafluorobutyryl)-

InChI

InChI=1S/C16H5F14NO3/c17-11(18,13(21,22)15(25,26)27)9(32)31-4-3-6-5-7(1-2-8(6)31)34-10(33)12(19,20)14(23,24)16(28,29)30/h1-5H

InChI Key

MOYLBUIZZMOTIC-UHFFFAOYSA-N

Formula

C16H5F14NO3

SMILES

O=C(Oc1ccc2c(ccn2C(=O)C(F)(F)C(F)(F)C(F)(F)F)c1)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

525.19

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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	0.8033		Relay (1.0) Calculated Property
ΔfG°	-2732.09	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-3309.07	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	95.37	kJ/mol	Relay (1.0) Calculated Property
IE	8.98	eV	Relay (1.0) Calculated Property
log10WS	-8.09		Relay (1.0) Calculated Property
logPoct/wat	5.853		Crippen Calculated Property
McVol	241.150	ml/mol	McGowan Calculated Property
Pc	1269.76	kPa	Relay (1.0-beta) Calculated Property
Inp	[2022.00; 2022.00]
Inp	2022.00		NIST
Inp	2022.00		NIST
Tboil	585.46	K	Relay (1.0) Calculated Property
Tc	776.69	K	Relay (1.0) Calculated Property
Tfus	364.22	K	Relay (1.0) Calculated Property
Vc	0.947	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 5-Hydroxyindole, N,O-bis(heptafluorobutyryl)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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