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

InChI

InChI=1S/C30H56O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-33-28(31)30(3,4)29(32)34-27-23-21-26(2)22-24-27/h26-27H,5-25H2,1-4H3

InChI Key

IAAWYDLPNWOOFK-UHFFFAOYSA-N

Formula

C30H56O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)OC1CCC(C)CC1

Molecular Weight¹

480.76

• 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	-1236.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	67.69	kJ/mol	Joback Calculated Property
ΔvapH°	132.11	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.22		Relay (1.0) Calculated Property
logPoct/wat	8.939		Crippen Calculated Property
McVol	437.580	ml/mol	McGowan Calculated Property
Inp	[3256.00; 3256.00]
Inp	3256.00		NIST
Inp	3256.00		NIST
Tboil	675.31	K	Relay (1.0) Calculated Property
Tfus	291.31	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	[1584.61; 1679.56]	J/mol×K	[1014.09; 1247.50]
Cp,gas	1584.61	J/mol×K	1014.09	Joback Calculated Property
Cp,gas	1605.52	J/mol×K	1052.99	Joback Calculated Property
Cp,gas	1624.26	J/mol×K	1091.89	Joback Calculated Property
Cp,gas	1640.94	J/mol×K	1130.79	Joback Calculated Property
Cp,gas	1655.64	J/mol×K	1169.69	Joback Calculated Property
Cp,gas	1668.49	J/mol×K	1208.60	Joback Calculated Property
Cp,gas	1679.56	J/mol×K	1247.50	Joback Calculated Property
η	[0.0000089; 0.0004023]	Pa×s	[518.08; 1014.09]
η	0.0004023	Pa×s	518.08	Joback Calculated Property
η	0.0001379	Pa×s	600.75	Joback Calculated Property
η	0.0000612	Pa×s	683.42	Joback Calculated Property
η	0.0000324	Pa×s	766.09	Joback Calculated Property
η	0.0000194	Pa×s	848.75	Joback Calculated Property
η	0.0000127	Pa×s	931.42	Joback Calculated Property
η	0.0000089	Pa×s	1014.09	Joback Calculated Property

Similar Compounds

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

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