Chemical Properties of Dimethylmalonic acid, ethyl trans-4-methylcyclohexyl ester

InChI

InChI=1S/C14H24O4/c1-5-17-12(15)14(3,4)13(16)18-11-8-6-10(2)7-9-11/h10-11H,5-9H2,1-4H3

InChI Key

HRVOFSXIGCWMSS-UHFFFAOYSA-N

Formula

C14H24O4

SMILES

CCOC(=O)C(C)(C)C(=O)OC1CCC(C)CC1

Molecular Weight¹

256.34

• 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).
• 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	-920.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.25	kJ/mol	Joback Calculated Property
ΔvapH°	75.33	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.698		Crippen Calculated Property
McVol	212.140	ml/mol	McGowan Calculated Property
Inp	[1616.00; 1616.00]
Inp	1616.00		NIST
Inp	1616.00		NIST
Tboil	541.61	K	Relay (1.0) Calculated Property
Tfus	253.61	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, Log10 of Water solubility in mol/l 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	[606.11; 706.04]	J/mol×K	[648.01; 853.48]
Cp,gas	606.11	J/mol×K	648.01	Joback Calculated Property
Cp,gas	625.93	J/mol×K	682.26	Joback Calculated Property
Cp,gas	644.46	J/mol×K	716.50	Joback Calculated Property
Cp,gas	661.71	J/mol×K	750.75	Joback Calculated Property
Cp,gas	677.71	J/mol×K	784.99	Joback Calculated Property
Cp,gas	692.48	J/mol×K	819.24	Joback Calculated Property
Cp,gas	706.04	J/mol×K	853.48	Joback Calculated Property
η	[0.0001064; 0.0038141]	Pa×s	[337.76; 648.01]
η	0.0038141	Pa×s	337.76	Joback Calculated Property
η	0.0014135	Pa×s	389.47	Joback Calculated Property
η	0.0006611	Pa×s	441.18	Joback Calculated Property
η	0.0003626	Pa×s	492.88	Joback Calculated Property
η	0.0002230	Pa×s	544.59	Joback Calculated Property
η	0.0001491	Pa×s	596.30	Joback Calculated Property
η	0.0001064	Pa×s	648.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, ethyl trans-4-methylcyclohexyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.