Chemical Properties of Phosphoric acid, trimethyl ester (CAS 512-56-1)

InChI

InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3

InChI Key

WVLBCYQITXONBZ-UHFFFAOYSA-N

Formula

C3H9O4P

SMILES

COP(=O)(OC)OC

Molecular Weight¹

140.07

CAS

512-56-1

Other Names

• (CH3O)3PO
• Methyl phosphate, (MeO)3PO
• NCI-C03781
• NSC 58985
• O,O,O-Trimethyl phosphate
• TMP
• TMPA
• TMPO
• Trimethylfosfat
• methyl phosphate
• trimethoxyphosphine oxide
• trimethyl orthophosphate
• trimethyl phosphate

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	890.60	kJ/mol	NIST
BasG	860.80	kJ/mol	NIST
ΔvapH°	47.50	kJ/mol	NIST
IE	[9.99; 10.90]	eV
IE	10.00	eV	NIST
IE	9.99	eV	NIST
IE	10.70 ± 0.10	eV	NIST
IE	10.77 ± 0.30	eV	NIST
IE	10.90	eV	NIST
IE	10.82	eV	NIST
IE	10.81	eV	NIST
logPoct/wat	1.034		Crippen Calculated Property
McVol	97.070	ml/mol	McGowan Calculated Property
Inp	[894.00; 938.00]
Inp	902.00		NIST
Inp	894.00		NIST
Inp	921.00		NIST
Inp	928.00		NIST
Inp	930.00		NIST
Inp	932.00		NIST
Inp	936.00		NIST
Inp	938.00		NIST
Inp	906.00		NIST
Inp	902.00		NIST
Tboil	468.21	K	Estimation of Normal Boiling points of Trialkyl Phosphates using Retention indices by Gas Chromatography
Tfus	229.14	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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
ΔvapH	[47.50; 48.80]	kJ/mol	[298.15; 381.00]
ΔvapH	47.50	kJ/mol	298.15	Measurement of enthalpies of vaporization of trialkyl phosphates using correlation gas chromatography
ΔvapH	48.80	kJ/mol	381.00	NIST
ρl	[1186.80; 1217.10]	kg/m3	[293.15; 323.15]
ρl	1217.10	kg/m3	293.15	Towards understanding the effect of electrostatic interactions on the density of ionic liquids
ρl	1212.90	kg/m3	298.15	Towards understanding the effect of electrostatic interactions on the density of ionic liquids
ρl	1207.80	kg/m3	303.15	Towards understanding the effect of electrostatic interactions on the density of ionic liquids
ρl	1202.50	kg/m3	308.15	Towards understanding the effect of electrostatic interactions on the density of ionic liquids
ρl	1198.00	kg/m3	313.15	Towards understanding the effect of electrostatic interactions on the density of ionic liquids
ρl	1191.90	kg/m3	318.15	Towards understanding the effect of electrostatic interactions on the density of ionic liquids
ρl	1186.80	kg/m3	323.15	Towards understanding the effect of electrostatic interactions on the density of ionic liquids

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[344.04; 500.36]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54274e+01
Coefficient B			-4.76549e+03
Coefficient C			-2.92720e+01
Temperature range, min.			344.04
Temperature range, max.			500.36
Pvap	1.33	kPa	344.04	Calculated Property
Pvap	2.94	kPa	361.41	Calculated Property
Pvap	6.00	kPa	378.78	Calculated Property
Pvap	11.45	kPa	396.15	Calculated Property
Pvap	20.60	kPa	413.52	Calculated Property
Pvap	35.22	kPa	430.88	Calculated Property
Pvap	57.59	kPa	448.25	Calculated Property
Pvap	90.57	kPa	465.62	Calculated Property
Pvap	137.59	kPa	482.99	Calculated Property
Pvap	202.65	kPa	500.36	Calculated Property

Similar Compounds

Find more compounds similar to Phosphoric acid, trimethyl ester.

Mixtures

• 1H-Imidazole, 1-methyl- + Phosphoric acid, trimethyl ester
• Phosphoric acid, trimethyl ester + Methyl Alcohol
• Ethanol + Phosphoric acid, trimethyl ester
• 1-Propanol + Phosphoric acid, trimethyl ester
• 1-Butanol + Phosphoric acid, trimethyl ester

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
• Towards understanding the effect of electrostatic interactions on the density of ionic liquids
• Measurement of enthalpies of vaporization of trialkyl phosphates using correlation gas chromatography
• Excess molar enthalpies for binary mixtures of trimethyl phosphate with alkanols {CH3(CH2)nOH, n = 0 3} at 298.15K
• Estimation of Normal Boiling points of Trialkyl Phosphates using Retention indices by Gas Chromatography
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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