Chemical Properties of 2-Propanol, 1-chloro-, phosphate (3:1) (CAS 13674-84-5)

InChI

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

InChI Key

KVMPUXDNESXNOH-UHFFFAOYSA-N

Formula

C9H18Cl3O4P

SMILES

CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl

Molecular Weight¹

327.57

CAS

13674-84-5

Other Names

• Amgard TMCP
• Hostaflam OP 820
• Phosphoric acid, tris(2-chloro-1-methylethyl) ester
• Tris(1-chloro-2-propyl)phosphate
• Tris(2-chloro-1-methylethyl) phosphate
• Tris(2-chloroisopropyl)phosphate
• tris(1-chloro-2-propyl) phosphate
• tris(1-chloropropan-2-yl) phosphate

• 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).
• P_vap : Vapor 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	0.6476		Relay (... Calculated Property
ΔfG°	-499.42	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1059.49	kJ/mol	Relay (... Calculated Property
ΔvapH°	83.12	kJ/mol	Relay (... Calculated Property
IE	10.20	eV	Relay (... Calculated Property
log10WS	-2.77		Relay (... Calculated Property
logPoct/wat	4.026		Crippen Calculated Property
McVol	218.330	ml/mol	McGowan Calculated Property
Pc	1996.52	kPa	Relay (... Calculated Property ⚠️
Inp	[1814.00; 1820.00]
Inp	1814.00		NIST
Inp	1814.00		NIST
Inp	1818.00		NIST
Inp	1820.00		NIST
Inp	1814.00		NIST
Tboil	560.58	K	Relay (... Calculated Property
Tc	732.93	K	Relay (... Calculated Property
Tfus	274.37	K	Relay (... Calculated Property
Vc	0.797	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to 2-Propanol, 1-chloro-, phosphate (3:1).

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
• Determination of Vapor Pressures for Organophosphate Esters
• McGowan Method
• NIST Webbook

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