Chemical Properties of Tyramine, N-formyl- (CAS 13062-78-7)

InChI

InChI=1S/C9H11NO2/c11-7-10-6-5-8-1-3-9(12)4-2-8/h1-4,7,12H,5-6H2,(H,10,11)

InChI Key

ZRAJFHFOIYKZPF-UHFFFAOYSA-N

Formula

C9H11NO2

SMILES

OC=NCCc1ccc(O)cc1

Molecular Weight¹

165.19

CAS

13062-78-7

Other Names

• N-Formyltyramine

• 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	0.7624		Relay (1.0) Calculated Property
ΔfG°	22.00	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-233.96	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	112.47	kJ/mol	Relay (1.0) Calculated Property
IE	8.65	eV	Relay (1.0) Calculated Property
log10WS	-1.05		Relay (1.0) Calculated Property
logPoct/wat	1.521		Crippen Calculated Property
McVol	131.330	ml/mol	McGowan Calculated Property
Pc	3834.03	kPa	Joback Calculated Property
Inp	[1882.10; 1882.10]
Inp	1882.10		NIST
Inp	1882.10		NIST
Tboil	604.58	K	Relay (1.0) Calculated Property
Tc	831.80	K	Relay (1.0) Calculated Property
Tfus	367.80	K	Relay (1.0) Calculated Property
Vc	0.447	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Tyramine, N-formyl-.

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
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.