Chemical Properties of Tris(2-chloropropyl) phosphate (CAS 6145-73-9)

InChI

InChI=1S/C9H18Cl3O4P/c1-7(10)4-14-17(13,15-5-8(2)11)16-6-9(3)12/h7-9H,4-6H2,1-3H3

InChI Key

GTRSAMFYSUBAGN-UHFFFAOYSA-N

Formula

C9H18Cl3O4P

SMILES

CC(Cl)COP(=O)(OCC(C)Cl)OCC(C)Cl

Molecular Weight¹

327.57

CAS

6145-73-9

• 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	0.6587		Relay (1.0) Calculated Property
ΔfG°	-502.95	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1015.54	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	84.58	kJ/mol	Relay (1.0) Calculated Property
IE	10.49	eV	Relay (1.0) Calculated Property
log10WS	-2.56		Relay (1.0) Calculated Property
logPoct/wat	4.026		Crippen Calculated Property
McVol	218.330	ml/mol	McGowan Calculated Property
Pc	2190.00	kPa	Relay (1.0-beta) Calculated Property
Inp	[1750.00; 1750.00]
Inp	1750.00		NIST
Inp	1750.00		NIST
Tboil	591.91	K	Relay (1.0) Calculated Property
Tc	740.91	K	Relay (1.0) Calculated Property
Tfus	291.61	K	Relay (1.0) Calculated Property
Vc	0.797	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Tris(2-chloropropyl) phosphate.

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
• McGowan Method
• NIST Webbook

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