Chemical Properties of 3-Phenylpropanol, dimethylpentafluorophenylsilyl ether

InChI

InChI=1S/C17H17F5OSi/c1-24(2,23-10-6-9-11-7-4-3-5-8-11)17-15(21)13(19)12(18)14(20)16(17)22/h3-5,7-8H,6,9-10H2,1-2H3

InChI Key

XUDNXSNBQBBUKV-UHFFFAOYSA-N

Formula

C17H17F5OSi

SMILES

C[Si](C)(OCCCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

360.39

• 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.
• 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	0.6680		Relay (1.0) Calculated Property
ΔfG°	-636.58	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-914.82	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	81.60	kJ/mol	Relay (1.0) Calculated Property
IE	9.05	eV	Relay (1.0) Calculated Property
log10WS	-5.82		Relay (1.0) Calculated Property
logPoct/wat	4.444		Crippen Calculated Property
Pc	1548.92	kPa	Relay (1.0-beta) Calculated Property
Inp	[1827.00; 1827.00]
Inp	1827.00		NIST
Inp	1827.00		NIST
Tboil	579.98	K	Relay (1.0) Calculated Property
Tc	773.72	K	Relay (1.0) Calculated Property
Tfus	267.46	K	Relay (1.0) Calculated Property
Vc	0.896	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3-Phenylpropanol, dimethylpentafluorophenylsilyl ether.

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
• NIST Webbook

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