Chemical Properties of Dimethylmalonic acid, butyl 2-methylpent-3-yl ester

InChI

InChI=1S/C15H28O4/c1-7-9-10-18-13(16)15(5,6)14(17)19-12(8-2)11(3)4/h11-12H,7-10H2,1-6H3

InChI Key

NJTNLNARCRLFNV-UHFFFAOYSA-N

Formula

C15H28O4

SMILES

CCCCOC(=O)C(C)(C)C(=O)OC(CC)C(C)C

Molecular Weight¹

272.38

• 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_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).
• 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	0.6886		Relay (1.0) Calculated Property
ΔfG°	-394.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-999.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.72	kJ/mol	Joback Calculated Property
ΔvapH°	68.10	kJ/mol	Relay (1.0) Calculated Property
IE	9.69	eV	Relay (1.0) Calculated Property
log10WS	-3.27		Relay (1.0) Calculated Property
logPoct/wat	3.334		Crippen Calculated Property
McVol	237.090	ml/mol	McGowan Calculated Property
Pc	1561.05	kPa	Joback Calculated Property
Inp	[1596.00; 1596.00]
Inp	1596.00		NIST
Inp	1596.00		NIST
Tboil	531.36	K	Relay (1.0) Calculated Property
Tc	714.65	K	Relay (1.0) Calculated Property
Tfus	226.06	K	Relay (1.0) Calculated Property
Vc	0.883	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[680.58; 769.22]	J/mol×K	[691.07; 878.32]
Cp,gas	680.58	J/mol×K	691.07	Joback Calculated Property
Cp,gas	697.58	J/mol×K	722.28	Joback Calculated Property
Cp,gas	713.66	J/mol×K	753.49	Joback Calculated Property
Cp,gas	728.85	J/mol×K	784.70	Joback Calculated Property
Cp,gas	743.16	J/mol×K	815.90	Joback Calculated Property
Cp,gas	756.61	J/mol×K	847.11	Joback Calculated Property
Cp,gas	769.22	J/mol×K	878.32	Joback Calculated Property
η	[0.0000764; 0.0022315]	Pa×s	[375.55; 691.07]
η	0.0022315	Pa×s	375.55	Joback Calculated Property
η	0.0009002	Pa×s	428.14	Joback Calculated Property
η	0.0004430	Pa×s	480.72	Joback Calculated Property
η	0.0002507	Pa×s	533.31	Joback Calculated Property
η	0.0001571	Pa×s	585.90	Joback Calculated Property
η	0.0001064	Pa×s	638.48	Joback Calculated Property
η	0.0000764	Pa×s	691.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, butyl 2-methylpent-3-yl ester.

Sources

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

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