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

InChI

InChI=1S/C19H34O4/c1-5-6-7-8-9-14-22-17(20)19(3,4)18(21)23-16-12-10-15(2)11-13-16/h15-16H,5-14H2,1-4H3

InChI Key

FIJNKZQKLJVWSE-UHFFFAOYSA-N

Formula

C19H34O4

SMILES

CCCCCCCOC(=O)C(C)(C)C(=O)OC1CCC(C)CC1

Molecular Weight¹

326.47

• 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	-1017.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.20	kJ/mol	Joback Calculated Property
ΔvapH°	88.52	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.76		Relay (1.0) Calculated Property
logPoct/wat	4.648		Crippen Calculated Property
McVol	282.590	ml/mol	McGowan Calculated Property
Inp	[2138.00; 2138.00]
Inp	2138.00		NIST
Inp	2138.00		NIST
Tboil	596.89	K	Relay (1.0) Calculated Property
Tfus	254.72	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	[893.16; 993.50]	J/mol×K	[762.41; 958.20]
Cp,gas	893.16	J/mol×K	762.41	Joback Calculated Property
Cp,gas	913.24	J/mol×K	795.04	Joback Calculated Property
Cp,gas	931.94	J/mol×K	827.67	Joback Calculated Property
Cp,gas	949.28	J/mol×K	860.31	Joback Calculated Property
Cp,gas	965.30	J/mol×K	892.94	Joback Calculated Property
Cp,gas	980.03	J/mol×K	925.57	Joback Calculated Property
Cp,gas	993.50	J/mol×K	958.20	Joback Calculated Property
η	[0.0000518; 0.0020363]	Pa×s	[394.11; 762.41]
η	0.0020363	Pa×s	394.11	Joback Calculated Property
η	0.0007310	Pa×s	455.49	Joback Calculated Property
η	0.0003347	Pa×s	516.88	Joback Calculated Property
η	0.0001809	Pa×s	578.26	Joback Calculated Property
η	0.0001100	Pa×s	639.64	Joback Calculated Property
η	0.0000730	Pa×s	701.03	Joback Calculated Property
η	0.0000518	Pa×s	762.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, cis-4-methylcyclohexyl heptyl 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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