Chemical Properties of Phosphoric acid, tris(2-methylphenyl) ester (CAS 78-30-8)

InChI

InChI=1S/C21H21O4P/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3

InChI Key

YSMRWXYRXBRSND-UHFFFAOYSA-N

Formula

C21H21O4P

SMILES

Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C

Molecular Weight¹

368.36

CAS

78-30-8

Other Names

• NSC 438
• Phosflex 179C
• Phosphoric acid, tri-2-methylphenyl ester
• Phosphoric acid, tri-o-cresyl ester
• Phosphoric acid, tri-o-tolyl ester
• TOCP
• TOFK
• TOTP
• Tri-2-methylphenyl phosphate
• Tri-2-tolyl phosphate
• Tri-O-tolyl ester phosphoric acid
• Tri-o-cresyl phosphate
• Tri-o-tolyl phosphate
• Tricresyl phosphate
• Triorthocresyl phosphate
• Tris(2-methylphenyl) phosphate
• Tris(o-cresyl)-phosphate
• Tris(o-methylphenyl)phosphate
• Tris(o-tolyl) phosphate
• Trojkrezylu fosforan
• o-Cresyl phosphate
• o-Tolyl phosphate
• o-Trikresylphosphate
• o-Trioyl phosphate

• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	[-6.01; -6.01]
log10WS	-6.01		Aq. Sol...
log10WS	-6.01		Estimat...
logPoct/wat	6.257		Crippen Calculated Property
McVol	279.410	ml/mol	McGowan Calculated Property
S°solid,1 bar	570.00	J/mol×K	NIST

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[530.27; 666.44]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.08952e+01
Coefficient B			-8.70453e+03
Coefficient C			-1.07872e+02
Temperature range, min.			530.27
Temperature range, max.			666.44
Pvap	1.33	kPa	530.27	Calculated Property
Pvap	2.72	kPa	545.40	Calculated Property
Pvap	5.29	kPa	560.53	Calculated Property
Pvap	9.85	kPa	575.66	Calculated Property
Pvap	17.64	kPa	590.79	Calculated Property
Pvap	30.51	kPa	605.92	Calculated Property
Pvap	51.07	kPa	621.05	Calculated Property
Pvap	83.01	kPa	636.18	Calculated Property
Pvap	131.33	kPa	651.31	Calculated Property
Pvap	202.67	kPa	666.44	Calculated Property

Similar Compounds

Find more compounds similar to Phosphoric acid, tris(2-methylphenyl) ester.

Sources

• Crippen Method
• Determination of Vapor Pressures for Organophosphate Esters
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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