Chemical Properties of Diethylmalonic acid, propyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C18H34O4/c1-8-11-21-15(19)18(9-2,10-3)16(20)22-13-14(4)12-17(5,6)7/h14H,8-13H2,1-7H3

InChI Key

IGIBEXZUGFBEPS-UHFFFAOYSA-N

Formula

C18H34O4

SMILES

CCCOC(=O)C(CC)(CC)C(=O)OCC(C)CC(C)(C)C

Molecular Weight¹

314.46

• 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).
• 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
ΔfG°	-363.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-927.23	kJ/mol	Joback Calculated Property
ΔfusH°	29.60	kJ/mol	Joback Calculated Property
ΔvapH°	70.99	kJ/mol	Joback Calculated Property
log10WS	-4.36		Crippen Calculated Property
logPoct/wat	4.362		Crippen Calculated Property
McVol	279.360	ml/mol	McGowan Calculated Property
Pc	1268.25	kPa	Joback Calculated Property
Inp	[1746.00; 1746.00]
Inp	1746.00		NIST
Inp	1746.00		NIST
Tboil	756.92	K	Joback Calculated Property
Tc	946.57	K	Joback Calculated Property
Tfus	426.78	K	Joback Calculated Property
Vc	1.063	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[853.13; 946.14]	J/mol×K	[756.92; 946.57]
Cp,gas	853.13	J/mol×K	756.92	Joback Calculated Property
Cp,gas	871.12	J/mol×K	788.53	Joback Calculated Property
Cp,gas	888.06	J/mol×K	820.14	Joback Calculated Property
Cp,gas	903.99	J/mol×K	851.74	Joback Calculated Property
Cp,gas	918.95	J/mol×K	883.35	Joback Calculated Property
Cp,gas	932.99	J/mol×K	914.96	Joback Calculated Property
Cp,gas	946.14	J/mol×K	946.57	Joback Calculated Property
η	[0.0000436; 0.0012202]	Pa×s	[426.78; 756.92]
η	0.0012202	Pa×s	426.78	Joback Calculated Property
η	0.0005099	Pa×s	481.80	Joback Calculated Property
η	0.0002548	Pa×s	536.83	Joback Calculated Property
η	0.0001449	Pa×s	591.85	Joback Calculated Property
η	0.0000907	Pa×s	646.87	Joback Calculated Property
η	0.0000611	Pa×s	701.90	Joback Calculated Property
η	0.0000436	Pa×s	756.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, propyl 2,4,4-trimethylpentyl ester.

Sources

• 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.