Chemical Properties of 2-mercaptophenyl-1-pentanol, TMS

InChI

InChI=1S/C14H24OSSi/c1-5-9-14(12-15-17(2,3)4)16-13-10-7-6-8-11-13/h6-8,10-11,14H,5,9,12H2,1-4H3

InChI Key

KDIIMBZCPSIYQC-UHFFFAOYSA-N

Formula

C14H24OSSi

SMILES

CCCC(CO[Si](C)(C)C)Sc1ccccc1

Molecular Weight¹

268.49

• 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	0.4684		Relay (1.0) Calculated Property
ΔfG°	42.93	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-308.91	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	74.25	kJ/mol	Relay (1.0) Calculated Property
IE	8.28	eV	Relay (1.0) Calculated Property
log10WS	-3.91		Relay (1.0) Calculated Property
logPoct/wat	4.799		Crippen Calculated Property
Pc	1633.36	kPa	Relay (1.0-beta) Calculated Property
Inp	[1640.00; 1640.00]
Inp	1640.00		NIST
Inp	1640.00		NIST
Tboil	583.17	K	Relay (1.0) Calculated Property
Tc	735.49	K	Relay (1.0) Calculated Property
Tfus	242.24	K	Relay (1.0) Calculated Property
Vc	0.829	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-mercaptophenyl-1-pentanol, TMS.

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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