Chemical Properties of Dimethylmalonic acid, 2-ethylhexyl isohexyl ester

InChI

InChI=1S/C19H36O4/c1-7-9-12-16(8-2)14-23-18(21)19(5,6)17(20)22-13-10-11-15(3)4/h15-16H,7-14H2,1-6H3

InChI Key

PXJNNGOFQABAOR-UHFFFAOYSA-N

Formula

C19H36O4

SMILES

CCCCC(CC)COC(=O)C(C)(C)C(=O)OCCCC(C)C

Molecular Weight¹

328.49

• 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	0.8264		Relay (1.0) Calculated Property
ΔfG°	-360.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-1083.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.08	kJ/mol	Joback Calculated Property
ΔvapH°	82.07	kJ/mol	Relay (1.0) Calculated Property
IE	9.61	eV	Relay (1.0) Calculated Property
log10WS	-4.95		Relay (1.0) Calculated Property
logPoct/wat	4.752		Crippen Calculated Property
McVol	293.450	ml/mol	McGowan Calculated Property
Pc	1176.85	kPa	Joback Calculated Property
Inp	[1906.00; 1906.00]
Inp	1906.00		NIST
Inp	1906.00		NIST
Tboil	576.73	K	Relay (1.0) Calculated Property
Tc	758.43	K	Relay (1.0) Calculated Property
Tfus	215.87	K	Relay (1.0) Calculated Property
Vc	1.095	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[911.15; 1005.05]	J/mol×K	[782.59; 969.42]
Cp,gas	911.15	J/mol×K	782.59	Joback Calculated Property
Cp,gas	929.33	J/mol×K	813.73	Joback Calculated Property
Cp,gas	946.47	J/mol×K	844.87	Joback Calculated Property
Cp,gas	962.57	J/mol×K	876.00	Joback Calculated Property
Cp,gas	977.69	J/mol×K	907.14	Joback Calculated Property
Cp,gas	991.84	J/mol×K	938.28	Joback Calculated Property
Cp,gas	1005.05	J/mol×K	969.42	Joback Calculated Property
η	[0.0000421; 0.0013462]	Pa×s	[420.63; 782.59]
η	0.0013462	Pa×s	420.63	Joback Calculated Property
η	0.0005259	Pa×s	480.96	Joback Calculated Property
η	0.0002533	Pa×s	541.28	Joback Calculated Property
η	0.0001413	Pa×s	601.61	Joback Calculated Property
η	0.0000876	Pa×s	661.94	Joback Calculated Property
η	0.0000589	Pa×s	722.26	Joback Calculated Property
η	0.0000421	Pa×s	782.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 2-ethylhexyl isohexyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.