Chemical Properties of Dimethylpropanedioic acid dimethyl ester

InChI

InChI=1S/C7H12O4/c1-7(2,5(8)10-3)6(9)11-4/h1-4H3

InChI Key

CAFVGIPKHPBMJS-UHFFFAOYSA-N

Formula

C7H12O4

SMILES

COC(=O)C(C)(C)C(=O)OC

Molecular Weight¹

160.17

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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	0.4648		Relay (1.0) Calculated Property
ΔcH°liquid	-3611.10 ± 0.42	kJ/mol	NIST
ΔfH°gas	-802.74 ± 0.79	kJ/mol	NIST
ΔfH°liquid	-858.43 ± 0.42	kJ/mol	NIST
ΔfusH°	15.21	kJ/mol	Joback Calculated Property
ΔvapH°	[55.69; 55.70]	kJ/mol
ΔvapH°	55.69 ± 0.79	kJ/mol	NIST
ΔvapH°	55.70	kJ/mol	NIST
IE	10.14	eV	Relay (1.0) Calculated Property
log10WS	-1.00		Relay (1.0) Calculated Property
logPoct/wat	0.359		Crippen Calculated Property
McVol	124.370	ml/mol	McGowan Calculated Property
Pc	2887.40	kPa	Joback Calculated Property
Tboil	442.97	K	Relay (1.0) Calculated Property
Tc	633.30	K	Relay (1.0) Calculated Property
Tfus	275.74	K	Relay (1.0) Calculated Property
Vc	0.466	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[274.08; 336.75]	J/mol×K	[472.97; 663.96]
Cp,gas	274.08	J/mol×K	472.97	Joback Calculated Property
Cp,gas	285.99	J/mol×K	504.80	Joback Calculated Property
Cp,gas	297.32	J/mol×K	536.63	Joback Calculated Property
Cp,gas	308.05	J/mol×K	568.46	Joback Calculated Property
Cp,gas	318.19	J/mol×K	600.30	Joback Calculated Property
Cp,gas	327.76	J/mol×K	632.13	Joback Calculated Property
Cp,gas	336.75	J/mol×K	663.96	Joback Calculated Property
Cp,liquid	259.30	J/mol×K	298.15	NIST
η	[0.0002204; 0.0078525]	Pa×s	[255.73; 472.97]
η	0.0078525	Pa×s	255.73	Joback Calculated Property
η	0.0029920	Pa×s	291.94	Joback Calculated Property
η	0.0014106	Pa×s	328.14	Joback Calculated Property
η	0.0007722	Pa×s	364.35	Joback Calculated Property
η	0.0004714	Pa×s	400.56	Joback Calculated Property
η	0.0003123	Pa×s	436.76	Joback Calculated Property
η	0.0002204	Pa×s	472.97	Joback Calculated Property
ΔvapH	55.60 ± 0.80	kJ/mol	292.50	NIST

Similar Compounds

Find more compounds similar to Dimethylpropanedioic acid dimethyl ester.

Sources

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

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