Chemical Properties of Phosphine, triphenyl- (CAS 603-35-0)

InChI

InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H

InChI Key

RIOQSEWOXXDEQQ-UHFFFAOYSA-N

Formula

C18H15P

SMILES

c1ccc(P(c2ccccc2)c2ccccc2)cc1

Molecular Weight¹

262.29

CAS

603-35-0

Other Names

• NSC 10
• NSC 215203
• PP 360
• Phosphorus triphenyl
• Trifenylfosfin
• Triphenylphosphane
• Triphenylphosphide
• Triphenylphosphine
• Triphenylphosphorus

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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_subH : Enthalpy of sublimation at a given temperature (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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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	0.4372		Relay (1.0) Calculated Property
PAff	972.80	kJ/mol	NIST
BasG	940.40	kJ/mol	NIST
ΔfG°	386.70	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	217.34	kJ/mol	Relay (1.0) Calculated Property
ΔsubH°	[96.20; 113.20]	kJ/mol
ΔsubH°	113.20 ± 3.00	kJ/mol	NIST
ΔsubH°	96.20 ± 8.40	kJ/mol	NIST
ΔvapH°	83.00	kJ/mol	Relay (1.0) Calculated Property
IE	[7.36; 8.20]	eV
IE	7.44 ± 0.05	eV	NIST
IE	7.37 ± 0.01	eV	NIST
IE	7.83	eV	NIST
IE	8.20 ± 0.05	eV	NIST
IE	7.36 ± 0.05	eV	NIST
IE	7.80 ± 0.05	eV	NIST
IE	7.97	eV	NIST
IE	7.80	eV	NIST
IE	7.92	eV	NIST
IE	7.85 ± 0.05	eV	NIST
log10WS	-6.36		Relay (1.0) Calculated Property
logPoct/wat	3.445		Crippen Calculated Property
McVol	213.660	ml/mol	McGowan Calculated Property
Pc	2908.73	kPa	Relay (1.0-beta) Calculated Property
Tboil	648.96	K	Relay (1.0) Calculated Property
Tc	907.19	K	Relay (1.0) Calculated Property
Tfus	[347.85; 354.40]	K
Tfus	352.65	K	Solubilities of Phenylphosphinic Acid, Hydroxymethylphenylphosphinic Acid, p-Methoxyphenylphosphinic Acid, p-Methoxyphenylhydroxymethylphosphinic Acid, Triphenylphosphine, Tri(p-methoxyphenyl)phosphine, and Tri(p-methoxyphenyl)phosphine Oxide in Selected Solvents
Tfus	353.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	354.40 ± 0.50	K	NIST
Tfus	353.70 ± 0.50	K	NIST
Tfus	350.40 ± 1.00	K	NIST
Tfus	347.85 ± 0.50	K	NIST
Tfus	350.40 ± 1.00	K	NIST
Tfus	347.85 ± 0.50	K	NIST
Vc	0.755	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	312.50	J/mol×K	298.50	NIST
ΔfusH	[19.69; 19.69]	kJ/mol	[354.40; 354.40]
ΔfusH	19.69	kJ/mol	354.40	NIST
ΔfusH	19.69	kJ/mol	354.40	NIST
ΔfusH	19.69	kJ/mol	354.40	NIST
ΔsubH	109.20 ± 1.10	kJ/mol	350.00	NIST
ΔvapH	[71.20; 91.00]	kJ/mol	[378.00; 571.50]
ΔvapH	91.00 ± 2.00	kJ/mol	378.00	NIST
ΔvapH	71.20	kJ/mol	571.50	NIST
ΔfusS	55.56	J/mol×K	354.40	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.32; 202.22]	kPa	[493.15; 687.15]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.57798e+01
Coefficient B			-6.25733e+03
Coefficient C			-8.95290e+01
Temperature range, min.			493.15
Temperature range, max.			687.15
Pvap	1.32	kPa	493.15	Calculated Property
Pvap	2.89	kPa	514.71	Calculated Property
Pvap	5.89	kPa	536.26	Calculated Property
Pvap	11.22	kPa	557.82	Calculated Property
Pvap	20.20	kPa	579.37	Calculated Property
Pvap	34.61	kPa	600.93	Calculated Property
Pvap	56.77	kPa	622.48	Calculated Property
Pvap	89.60	kPa	644.04	Calculated Property
Pvap	136.67	kPa	665.59	Calculated Property
Pvap	202.22	kPa	687.15	Calculated Property

Similar Compounds

Find more compounds similar to Phosphine, triphenyl-.

Mixtures

• Ethanol + Phosphine, triphenyl-
• 2-Propanol + Phosphine, triphenyl-
• Benzene + Phosphine, triphenyl-
• Toluene + Phosphine, triphenyl-
• Phosphine, triphenyl- + Acetone
• Phosphine, triphenyl- + Methyl Alcohol

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Thermochemistry of adducts of some bivalent transition metal bromides with triphenylphosphine
• Solubility Determination and Thermodynamic Modeling of Sodium Thioglycolate in Pure and Binary Solvent Mixtures from T = (293.15 to 333.15) K
• Solubilities of Phenylphosphinic Acid, Hydroxymethylphenylphosphinic Acid, p-Methoxyphenylphosphinic Acid, p-Methoxyphenylhydroxymethylphosphinic Acid, Triphenylphosphine, Tri(p-methoxyphenyl)phosphine, and Tri(p-methoxyphenyl)phosphine Oxide in Selected Solvents
• Solubilities of Triphenylphosphine in Ethanol, 2-Propanol, Acetone, Benzene, and Toluene
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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