Chemical Properties of Methylene diacetate

InChI

InChI=1S/C5H8O4/c1-4(6)8-3-9-5(2)7/h3H2,1-2H3

InChI Key

BPGDAMSIGCZZLK-UHFFFAOYSA-N

Formula

C5H8O4

SMILES

CC(=O)OCOC(C)=O

Molecular Weight¹

132.12

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• 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	0.4794		Relay (1.0) Calculated Property
ΔcH°liquid	-2273.83 ± 0.91	kJ/mol	NIST
ΔfG°	-629.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-780.66 ± 0.93	kJ/mol	NIST
ΔfH°liquid	-837.04 ± 0.91	kJ/mol	NIST
ΔfusH°	17.44	kJ/mol	Joback Calculated Property
ΔvapH°	[56.38; 56.40]	kJ/mol
ΔvapH°	56.38 ± 0.25	kJ/mol	NIST
ΔvapH°	56.40	kJ/mol	NIST
IE	9.94	eV	Relay (1.0) Calculated Property
log10WS	-0.52		Relay (1.0) Calculated Property
logPoct/wat	0.070		Crippen Calculated Property
McVol	96.190	ml/mol	McGowan Calculated Property
Pc	3509.58	kPa	Joback Calculated Property
Inp	[782.00; 785.00]
Inp	782.00		NIST
Inp	785.00		NIST
Inp	782.00		NIST
Tboil	426.43	K	Relay (1.0) Calculated Property
Tc	599.06	K	Relay (1.0) Calculated Property
Tfus	234.50	K	Relay (1.0) Calculated Property
Vc	0.379	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[144.23; 293.50]	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			4.91610e+01
Coefficient B			3.69240e-01
Coefficient C			-5.90000e-05
Coefficient D			-6.59000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	144.23	J/mol×K	273.00	Calculated Property
Cp,gas	169.49	J/mol×K	353.78	Calculated Property
Cp,gas	193.07	J/mol×K	434.56	Calculated Property
Cp,gas	214.76	J/mol×K	515.33	Calculated Property
Cp,gas	234.34	J/mol×K	596.11	Calculated Property
Cp,gas	251.62	J/mol×K	676.89	Calculated Property
Cp,gas	266.39	J/mol×K	757.67	Calculated Property
Cp,gas	278.43	J/mol×K	838.44	Calculated Property
Cp,gas	287.54	J/mol×K	919.22	Calculated Property
Cp,gas	293.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0059498; 0.0002606]	Pa×s	[230.77; 429.37]	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			-1.18873e+01
Coefficient B			1.56068e+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.			230.77
Temperature range, max.			429.37
η	0.0059498	Pa×s	230.77	Calculated Property
η	0.0032973	Pa×s	252.84	Calculated Property
η	0.0020090	Pa×s	274.90	Calculated Property
η	0.0013176	Pa×s	296.97	Calculated Property
η	0.0009160	Pa×s	319.04	Calculated Property
η	0.0006675	Pa×s	341.10	Calculated Property
η	0.0005055	Pa×s	363.17	Calculated Property
η	0.0003952	Pa×s	385.23	Calculated Property
η	0.0003173	Pa×s	407.30	Calculated Property
η	0.0002606	Pa×s	429.37	Calculated Property

Similar Compounds

Find more compounds similar to Methylene diacetate.

Sources

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

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