Chemical Properties of Triphenyl phosphate

InChI

InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H

InChI Key

XZZNDPSIHUTMOC-UHFFFAOYSA-N

Formula

C18H15O4P

SMILES

O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1

Molecular Weight¹

326.29

Other Names

• Altal
• Celluflex TPP
• Disflamoll TP
• Kronitex TPP
• NSC 57868
• Phenyl phosphate
• Phenyl phosphate ((PhO)3PO)
• Phosflex TPP
• TP
• TPP
• Trifenylfosfat
• Triphenyl phosphoric acid ester
• phosphoric acid, triphenyl ester
• triphenoxyphosphine oxide

• ω : Acentric Factor.
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7135		Relay (1.0) Calculated Property
ΔfH°gas	-360.10	kJ/mol	Relay (1.0) Calculated Property
ΔsubH°	114.40 ± 2.60	kJ/mol	NIST
ΔvapH°	103.63	kJ/mol	Relay (1.0) Calculated Property
IE	8.75	eV	Relay (1.0) Calculated Property
log10WS	-5.60		Relay (1.0) Calculated Property
logPoct/wat	5.331		Crippen Calculated Property
McVol	237.140	ml/mol	McGowan Calculated Property
Pc	1954.59	kPa	Relay (1.0-beta) Calculated Property
Inp	[391.90; 2392.00]
Inp	2363.00		NIST
Inp	2320.00		NIST
Inp	2359.00		NIST
Inp	2330.00		NIST
Inp	2392.00		NIST
Inp	2366.00		NIST
Inp	2363.00		NIST
Inp	2363.00		NIST
Inp	2363.00		NIST
Inp	Outlier 391.90		NIST
Inp	Outlier 391.90		NIST
S°solid,1 bar	397.50	J/mol×K	NIST
Tboil	663.40	K	Relay (1.0) Calculated Property
Tc	961.98	K	Relay (1.0) Calculated Property
Tfus	322.00	K	Relay (1.0) Calculated Property
Ttriple	[322.55; 322.55]	K
Ttriple	322.55 ± 0.02	K	NIST
Ttriple	322.55 ± 0.02	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	356.20	J/mol×K	300.00	NIST
ΔfusH	[29.61; 29.61]	kJ/mol	[322.50; 322.55]
ΔfusH	29.61	kJ/mol	322.50	NIST
ΔfusH	29.61	kJ/mol	322.50	NIST
ΔfusH	29.61	kJ/mol	322.55	NIST
ΔfusH	29.61	kJ/mol	322.55	NIST
ΔvapH	81.40	kJ/mol	615.50	NIST
Pvap	2.70e-07	kPa	298.00	Determination of Vapor Pressures for Organophosphate Esters
ΔfusS	[91.84; 91.84]	J/mol×K	[322.55; 322.55]
ΔfusS	91.84	J/mol×K	322.55	NIST
ΔfusS	91.84	J/mol×K	322.55	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 103.99]	kPa	[466.70; 686.70]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.62430e+01
Coefficient B			-6.98785e+03
Coefficient C			-8.42330e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			466.70
Temperature range, max.			686.70
Pvap	0.13	kPa	466.70	Calculated Property
Pvap	0.39	kPa	491.14	Calculated Property
Pvap	1.04	kPa	515.59	Calculated Property
Pvap	2.49	kPa	540.03	Calculated Property
Pvap	5.43	kPa	564.48	Calculated Property
Pvap	10.99	kPa	588.92	Calculated Property
Pvap	20.84	kPa	613.37	Calculated Property
Pvap	37.34	kPa	637.81	Calculated Property
Pvap	63.67	kPa	662.26	Calculated Property
Pvap	103.99	kPa	686.70	Calculated Property

Similar Compounds

Find more compounds similar to Triphenyl 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
• Determination of Vapor Pressures for Organophosphate Esters
• McGowan Method
• NIST Webbook

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