Chemical Properties of Norepinephrine, PFB-TMS

InChI

InChI=1S/C24H34F5NO4Si3/c1-35(2,3)32-15-11-10-14(12-16(15)33-36(4,5)6)17(34-37(7,8)9)13-30-24(31)18-19(25)21(27)23(29)22(28)20(18)26/h10-12,17H,13H2,1-9H3,(H,30,31)

InChI Key

XEYCVXZIXKQYHA-UHFFFAOYSA-N

Formula

C24H34F5NO4Si3

SMILES

C[Si](C)(C)Oc1ccc(C(CNC(=O)c2c(F)c(F)c(F)c(F)c2F)O[Si](C)(C)C)cc1O[Si](C)(C)C

Molecular Weight¹

579.78

• 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	1.0102		Relay (1.0) Calculated Property
ΔfG°	-910.21	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1703.12	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	101.38	kJ/mol	Relay (1.0) Calculated Property
IE	9.11	eV	Relay (1.0) Calculated Property
log10WS	-6.35		Relay (1.0) Calculated Property
logPoct/wat	7.132		Crippen Calculated Property
Pc	25.55	kPa	Relay (1.0-beta) Calculated Property
Inp	[2400.00; 2400.00]
Inp	2400.00		NIST
Inp	2400.00		NIST
Tboil	663.62	K	Relay (1.0) Calculated Property
Tc	902.83	K	Relay (1.0) Calculated Property
Tfus	379.47	K	Relay (1.0) Calculated Property
Vc	1.559	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Norepinephrine, PFB-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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