Chemical Properties of Dimethylmalonic acid, cis-4-methylcyclohexyl heptadecyl ester

InChI

InChI=1S/C29H54O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-32-27(30)29(3,4)28(31)33-26-22-20-25(2)21-23-26/h25-26H,5-24H2,1-4H3

InChI Key

VGAFGWAKYAHZQB-UHFFFAOYSA-N

Formula

C29H54O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)OC1CCC(C)CC1

Molecular Weight¹

466.75

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1216.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	65.10	kJ/mol	Joback Calculated Property
ΔvapH°	128.20	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.91		Relay (1.0) Calculated Property
logPoct/wat	8.549		Crippen Calculated Property
McVol	423.490	ml/mol	McGowan Calculated Property
Inp	[3155.00; 3155.00]
Inp	3155.00		NIST
Inp	3155.00		NIST
Tboil	668.83	K	Relay (1.0) Calculated Property
Tfus	288.95	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1519.86; 1615.26]	J/mol×K	[991.21; 1216.35]
Cp,gas	1519.86	J/mol×K	991.21	Joback Calculated Property
Cp,gas	1540.53	J/mol×K	1028.73	Joback Calculated Property
Cp,gas	1559.18	J/mol×K	1066.26	Joback Calculated Property
Cp,gas	1575.90	J/mol×K	1103.78	Joback Calculated Property
Cp,gas	1590.75	J/mol×K	1141.30	Joback Calculated Property
Cp,gas	1603.85	J/mol×K	1178.83	Joback Calculated Property
Cp,gas	1615.26	J/mol×K	1216.35	Joback Calculated Property
η	[0.0000106; 0.0004705]	Pa×s	[506.81; 991.21]
η	0.0004705	Pa×s	506.81	Joback Calculated Property
η	0.0001618	Pa×s	587.54	Joback Calculated Property
η	0.0000720	Pa×s	668.28	Joback Calculated Property
η	0.0000381	Pa×s	749.01	Joback Calculated Property
η	0.0000229	Pa×s	829.74	Joback Calculated Property
η	0.0000150	Pa×s	910.48	Joback Calculated Property
η	0.0000106	Pa×s	991.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, cis-4-methylcyclohexyl heptadecyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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