Chemical Properties of 2-Phenylethanamine DMPFPS

InChI

InChI=1S/C16H16F5NSi/c1-23(2,22-9-8-10-6-4-3-5-7-10)16-14(20)12(18)11(17)13(19)15(16)21/h3-7,22H,8-9H2,1-2H3

InChI Key

PASGPSQKXAMQCH-UHFFFAOYSA-N

Formula

C16H16F5NSi

SMILES

C[Si](C)(NCCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

345.38

• 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	0.6126		Relay (1.0) Calculated Property
ΔfG°	-450.45	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-693.73	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	81.45	kJ/mol	Relay (1.0) Calculated Property
IE	8.85	eV	Relay (1.0) Calculated Property
log10WS	-4.93		Relay (1.0) Calculated Property
logPoct/wat	3.627		Crippen Calculated Property
Pc	1659.60	kPa	Relay (1.0-beta) Calculated Property
Inp	[1890.00; 1890.00]
Inp	1890.00		NIST
Inp	1890.00		NIST
Tboil	581.07	K	Relay (1.0) Calculated Property
Tc	781.89	K	Relay (1.0) Calculated Property
Tfus	305.02	K	Relay (1.0) Calculated Property
Vc	0.842	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Phenylethanamine DMPFPS.

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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