Chemical Properties of Phosphoserine, TMS # 2

InChI

InChI=1S/C14H38NO6PSi4/c1-23(2,3)15-13(14(16)19-24(4,5)6)18-22(17,20-25(7,8)9)21-26(10,11)12/h13,15H,1-12H3

InChI Key

NYIHDAPZZOYDMH-UHFFFAOYSA-N

Formula

C14H38NO6PSi4

SMILES

C[Si](C)(C)NC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C

Molecular Weight¹

459.77

• 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	0.7659		Relay (1.0) Calculated Property
ΔfG°	-549.62	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1675.25	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	77.18	kJ/mol	Relay (1.0) Calculated Property
IE	9.14	eV	Relay (1.0) Calculated Property
log10WS	-2.77		Relay (1.0) Calculated Property
logPoct/wat	4.943		Crippen Calculated Property
Pc	296.66	kPa	Relay (1.0-beta) Calculated Property
Inp	[1884.00; 1884.00]
Inp	1884.00		NIST
Inp	1884.00		NIST
Tboil	563.94	K	Relay (1.0) Calculated Property
Tc	726.31	K	Relay (1.0) Calculated Property
Tfus	315.25	K	Relay (1.0) Calculated Property
Vc	1.465	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Phosphoserine, TMS # 2.

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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