Chemical Properties of Trimethyl phosphite (CAS 121-45-9)

InChI

InChI=1S/C3H9O3P/c1-4-7(5-2)6-3/h1-3H3

InChI Key

CYTQBVOFDCPGCX-UHFFFAOYSA-N

Formula

C3H9O3P

SMILES

COP(OC)OC

Molecular Weight¹

124.08

CAS

121-45-9

Other Names

• Methyl phosphite ((MeO)3P)
• NSC 6513
• P(OCH3)3
• Phosphorous acid, trimethyl ester
• Trimethoxyfosfin
• Trimethoxyphosphine
• Trimethyl ester of phosphorous acid
• Trimethylfosfit
• UN 2329

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,liquid : Liquid 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_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).
• 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	0.3517		Relay (1.0) Calculated Property
PAff	929.70	kJ/mol	NIST
BasG	899.90	kJ/mol	NIST
ΔfG°	-121.88	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-458.25	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	40.69	kJ/mol	Relay (1.0) Calculated Property
IE	[8.40; 9.40]	eV
IE	8.40	eV	NIST
IE	8.40	eV	NIST
IE	8.50	eV	NIST
IE	9.21	eV	NIST
IE	8.40	eV	NIST
IE	9.00 ± 0.05	eV	NIST
IE	8.92	eV	NIST
IE	9.25	eV	NIST
IE	9.30	eV	NIST
IE	9.22	eV	NIST
IE	9.40	eV	NIST
IE	9.00	eV	NIST
log10WS	0.09		Relay (1.0) Calculated Property
logPoct/wat	1.153		Crippen Calculated Property
McVol	91.200	ml/mol	McGowan Calculated Property
Pc	3403.19	kPa	Relay (1.0-beta) Calculated Property
Inp	[688.00; 689.00]
Inp	689.00		NIST
Inp	688.00		NIST
Tboil	386.81	K	Relay (1.0) Calculated Property
Tc	549.48	K	Relay (1.0) Calculated Property
Tfus	202.55	K	Relay (1.0) Calculated Property
Vc	0.362	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[176.65; 214.53]	J/mol×K	[299.05; 348.05]
Cp,liquid	176.65	J/mol×K	299.05	Heat Capacity and Enthalpy of Formation of Trimethyl Phosphite, 2-Chloromethylbenzonitrile, and 2-Dimethylphosphonomethylbenzonitrile
Cp,liquid	179.14	J/mol×K	302.10	Heat Capacity and Enthalpy of Formation of Trimethyl Phosphite, 2-Chloromethylbenzonitrile, and 2-Dimethylphosphonomethylbenzonitrile
Cp,liquid	180.68	J/mol×K	305.10	Heat Capacity and Enthalpy of Formation of Trimethyl Phosphite, 2-Chloromethylbenzonitrile, and 2-Dimethylphosphonomethylbenzonitrile
Cp,liquid	183.16	J/mol×K	308.15	Heat Capacity and Enthalpy of Formation of Trimethyl Phosphite, 2-Chloromethylbenzonitrile, and 2-Dimethylphosphonomethylbenzonitrile
Cp,liquid	183.86	J/mol×K	310.95	Heat Capacity and Enthalpy of Formation of Trimethyl Phosphite, 2-Chloromethylbenzonitrile, and 2-Dimethylphosphonomethylbenzonitrile
Cp,liquid	187.75	J/mol×K	313.75	Heat Capacity and Enthalpy of Formation of Trimethyl Phosphite, 2-Chloromethylbenzonitrile, and 2-Dimethylphosphonomethylbenzonitrile
Cp,liquid	188.67	J/mol×K	316.73	Heat Capacity and Enthalpy of Formation of Trimethyl Phosphite, 2-Chloromethylbenzonitrile, and 2-Dimethylphosphonomethylbenzonitrile
Cp,liquid	192.12	J/mol×K	319.69	Heat Capacity and Enthalpy of Formation of Trimethyl Phosphite, 2-Chloromethylbenzonitrile, and 2-Dimethylphosphonomethylbenzonitrile
Cp,liquid	194.20	J/mol×K	322.33	Heat Capacity and Enthalpy of Formation of Trimethyl Phosphite, 2-Chloromethylbenzonitrile, and 2-Dimethylphosphonomethylbenzonitrile
Cp,liquid	195.38	J/mol×K	325.90	Heat Capacity and Enthalpy of Formation of Trimethyl Phosphite, 2-Chloromethylbenzonitrile, and 2-Dimethylphosphonomethylbenzonitrile
Cp,liquid	196.91	J/mol×K	329.00	Heat Capacity and Enthalpy of Formation of Trimethyl Phosphite, 2-Chloromethylbenzonitrile, and 2-Dimethylphosphonomethylbenzonitrile
Cp,liquid	200.37	J/mol×K	331.35	Heat Capacity and Enthalpy of Formation of Trimethyl Phosphite, 2-Chloromethylbenzonitrile, and 2-Dimethylphosphonomethylbenzonitrile
Cp,liquid	202.37	J/mol×K	335.89	Heat Capacity and Enthalpy of Formation of Trimethyl Phosphite, 2-Chloromethylbenzonitrile, and 2-Dimethylphosphonomethylbenzonitrile
Cp,liquid	204.19	J/mol×K	337.70	Heat Capacity and Enthalpy of Formation of Trimethyl Phosphite, 2-Chloromethylbenzonitrile, and 2-Dimethylphosphonomethylbenzonitrile
Cp,liquid	207.44	J/mol×K	340.75	Heat Capacity and Enthalpy of Formation of Trimethyl Phosphite, 2-Chloromethylbenzonitrile, and 2-Dimethylphosphonomethylbenzonitrile
Cp,liquid	212.11	J/mol×K	343.73	Heat Capacity and Enthalpy of Formation of Trimethyl Phosphite, 2-Chloromethylbenzonitrile, and 2-Dimethylphosphonomethylbenzonitrile
Cp,liquid	214.53	J/mol×K	348.05	Heat Capacity and Enthalpy of Formation of Trimethyl Phosphite, 2-Chloromethylbenzonitrile, and 2-Dimethylphosphonomethylbenzonitrile
ΔvapH	[32.80; 42.50]	kJ/mol	[322.00; 458.00]
ΔvapH	42.50	kJ/mol	322.00	NIST
ΔvapH	32.80	kJ/mol	458.00	NIST

Similar Compounds

Find more compounds similar to Trimethyl phosphite.

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
• Heat Capacity and Enthalpy of Formation of Trimethyl Phosphite, 2-Chloromethylbenzonitrile, and 2-Dimethylphosphonomethylbenzonitrile
• McGowan Method
• NIST Webbook

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