Chemical Properties of Methyl dihydromalvalate

InChI

InChI=1S/C19H36O2/c1-3-4-5-6-7-10-13-17-16-18(17)14-11-8-9-12-15-19(20)21-2/h17-18H,3-16H2,1-2H3

InChI Key

LYLDBNFUPQGLCE-UHFFFAOYSA-N

Formula

C19H36O2

SMILES

CCCCCCCCC1CC1CCCCCCC(=O)OC

Molecular Weight¹

296.49

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.8411		Relay (1.0) Calculated Property
ΔfH°gas	-653.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.96	kJ/mol	Joback Calculated Property
ΔvapH°	100.52	kJ/mol	Relay (1.0) Calculated Property
IE	9.50	eV	Relay (1.0) Calculated Property
log10WS	-6.74		Relay (1.0) Calculated Property
logPoct/wat	5.887		Crippen Calculated Property
McVol	275.150	ml/mol	McGowan Calculated Property
Pc	1189.88	kPa	Joback Calculated Property
Inp	[2045.00; 2045.00]
Inp	2045.00		NIST
Inp	2045.00		NIST
Tboil	588.62	K	Relay (1.0) Calculated Property
Tc	788.87	K	Relay (1.0) Calculated Property
Tfus	288.37	K	Relay (1.0) Calculated Property
Vc	1.034	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	[836.52; 941.40]	J/mol×K	[712.48; 887.77]
Cp,gas	836.52	J/mol×K	712.48	Joback Calculated Property
Cp,gas	856.24	J/mol×K	741.70	Joback Calculated Property
Cp,gas	875.02	J/mol×K	770.91	Joback Calculated Property
Cp,gas	892.89	J/mol×K	800.13	Joback Calculated Property
Cp,gas	909.89	J/mol×K	829.34	Joback Calculated Property
Cp,gas	926.05	J/mol×K	858.56	Joback Calculated Property
Cp,gas	941.40	J/mol×K	887.77	Joback Calculated Property
η	[0.0002816; 0.0020409]	Pa×s	[389.75; 712.48]
η	0.0020409	Pa×s	389.75	Joback Calculated Property
η	0.0012010	Pa×s	443.54	Joback Calculated Property
η	0.0007926	Pa×s	497.33	Joback Calculated Property
η	0.0005673	Pa×s	551.12	Joback Calculated Property
η	0.0004309	Pa×s	604.90	Joback Calculated Property
η	0.0003424	Pa×s	658.69	Joback Calculated Property
η	0.0002816	Pa×s	712.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl dihydromalvalate.

Sources

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

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