Chemical Properties of Ethane, 1,1,1-trimethoxy-

InChI

InChI=1S/C5H12O3/c1-5(6-2,7-3)8-4/h1-4H3

InChI Key

HDPNBNXLBDFELL-UHFFFAOYSA-N

Formula

C5H12O3

SMILES

COC(C)(OC)OC

Molecular Weight¹

120.15

Other Names

• Orthoacetic acid, trimethyl ester
• Methyl orthoacetate
• Trimethyl orthoacetate
• 1,1,1-Trimethoxyethane
• CH3C(OCH3)3

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• 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	0.3316		Relay (1.0) Calculated Property
ΔfG°	-320.94	kJ/mol	Joback Calculated Property
ΔfH°gas	[-572.70; -570.86]	kJ/mol
ΔfH°gas	-570.86 ± 0.87	kJ/mol	NIST
ΔfH°gas	-572.70 ± 2.30	kJ/mol	NIST
ΔfH°liquid	[-612.00; -610.00]	kJ/mol
ΔfH°liquid	-610.00 ± 0.45	kJ/mol	NIST
ΔfH°liquid	-612.00 ± 1.10	kJ/mol	NIST
ΔfusH°	4.86	kJ/mol	Joback Calculated Property
ΔvapH°	[39.10; 39.30]	kJ/mol
ΔvapH°	39.20 ± 0.75	kJ/mol	NIST
ΔvapH°	39.10	kJ/mol	NIST
ΔvapH°	39.20	kJ/mol	NIST
ΔvapH°	39.30	kJ/mol	NIST
IE	9.65	eV	NIST
log10WS	-0.72		Relay (1.0) Calculated Property
logPoct/wat	0.599		Crippen Calculated Property
McVol	98.920	ml/mol	McGowan Calculated Property
Pc	3341.24	kPa	Joback Calculated Property
Tboil	381.20	K	NIST
Tc	548.15	K	Relay (1.0) Calculated Property
Tfus	212.38	K	Relay (1.0) Calculated Property
Vc	0.387	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[156.30; 334.25]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			5.03700e+01
Coefficient B			4.15080e-01
Coefficient C			-8.70000e-05
Coefficient D			-4.42000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	156.30	J/mol×K	273.00	Calculated Property
Cp,gas	184.37	J/mol×K	353.78	Calculated Property
Cp,gas	210.69	J/mol×K	434.56	Calculated Property
Cp,gas	235.12	J/mol×K	515.33	Calculated Property
Cp,gas	257.53	J/mol×K	596.11	Calculated Property
Cp,gas	277.76	J/mol×K	676.89	Calculated Property
Cp,gas	295.69	J/mol×K	757.67	Calculated Property
Cp,gas	311.18	J/mol×K	838.44	Calculated Property
Cp,gas	324.08	J/mol×K	919.22	Calculated Property
Cp,gas	334.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033768; 0.0001897]	Pa×s	[215.22; 388.78]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.21403e+01
Coefficient B			1.38805e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			215.22
Temperature range, max.			388.78
η	0.0033768	Pa×s	215.22	Calculated Property
η	0.0019869	Pa×s	234.50	Calculated Property
η	0.0012672	Pa×s	253.79	Calculated Property
η	0.0008612	Pa×s	273.07	Calculated Property
η	0.0006159	Pa×s	292.36	Calculated Property
η	0.0004591	Pa×s	311.64	Calculated Property
η	0.0003541	Pa×s	330.93	Calculated Property
η	0.0002811	Pa×s	350.21	Calculated Property
η	0.0002286	Pa×s	369.50	Calculated Property
η	0.0001897	Pa×s	388.78	Calculated Property

Similar Compounds

Find more compounds similar to Ethane, 1,1,1-trimethoxy-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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