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

InChI

InChI=1S/C18H32O4/c1-5-6-7-8-13-21-16(19)18(3,4)17(20)22-15-11-9-14(2)10-12-15/h14-15H,5-13H2,1-4H3

InChI Key

KOLBZJZBYUASDY-UHFFFAOYSA-N

Formula

C18H32O4

SMILES

CCCCCCOC(=O)C(C)(C)C(=O)OC1CCC(C)CC1

Molecular Weight¹

312.44

• 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	-998.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.61	kJ/mol	Joback Calculated Property
ΔvapH°	85.32	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.42		Relay (1.0) Calculated Property
logPoct/wat	4.258		Crippen Calculated Property
McVol	268.500	ml/mol	McGowan Calculated Property
Inp	[1998.00; 1998.00]
Inp	1998.00		NIST
Inp	1998.00		NIST
Tboil	587.62	K	Relay (1.0) Calculated Property
Tfus	250.83	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	[833.83; 934.49]	J/mol×K	[739.53; 936.34]
Cp,gas	833.83	J/mol×K	739.53	Joback Calculated Property
Cp,gas	853.92	J/mol×K	772.33	Joback Calculated Property
Cp,gas	872.64	J/mol×K	805.13	Joback Calculated Property
Cp,gas	890.03	J/mol×K	837.93	Joback Calculated Property
Cp,gas	906.12	J/mol×K	870.73	Joback Calculated Property
Cp,gas	920.93	J/mol×K	903.54	Joback Calculated Property
Cp,gas	934.49	J/mol×K	936.34	Joback Calculated Property
η	[0.0000601; 0.0023258]	Pa×s	[382.84; 739.53]
η	0.0023258	Pa×s	382.84	Joback Calculated Property
η	0.0008397	Pa×s	442.29	Joback Calculated Property
η	0.0003859	Pa×s	501.74	Joback Calculated Property
η	0.0002091	Pa×s	561.18	Joback Calculated Property
η	0.0001274	Pa×s	620.63	Joback Calculated Property
η	0.0000847	Pa×s	680.08	Joback Calculated Property
η	0.0000601	Pa×s	739.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, hexyl 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.
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