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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.1760		Relay (1.0) Calculated Property
ΔfG°	-246.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-1236.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.52	kJ/mol	Joback Calculated Property
ΔvapH°	130.51	kJ/mol	Relay (1.0) Calculated Property
IE	9.91	eV	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
Pc	687.09	kPa	Joback Calculated Property
Inp	[3256.00; 3256.00]
Inp	3256.00		NIST
Inp	3256.00		NIST
Tboil	675.31	K	Relay (1.0) Calculated Property
Tc	892.84	K	Relay (1.0) Calculated Property
Tfus	297.21	K	Relay (1.0) Calculated Property
Vc	1.662	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1604.25; 1699.83]	J/mol×K	[1050.03; 1294.66]
Cp,gas	1604.25	J/mol×K	1050.03	Joback Calculated Property
Cp,gas	1625.29	J/mol×K	1090.80	Joback Calculated Property
Cp,gas	1644.13	J/mol×K	1131.57	Joback Calculated Property
Cp,gas	1660.89	J/mol×K	1172.35	Joback Calculated Property
Cp,gas	1675.69	J/mol×K	1213.12	Joback Calculated Property
Cp,gas	1688.63	J/mol×K	1253.89	Joback Calculated Property
Cp,gas	1699.83	J/mol×K	1294.66	Joback Calculated Property
η	[0.0000119; 0.0002649]	Pa×s	[577.74; 1050.03]
η	0.0002649	Pa×s	577.74	Joback Calculated Property
η	0.0001157	Pa×s	656.46	Joback Calculated Property
η	0.0000604	Pa×s	735.17	Joback Calculated Property
η	0.0000357	Pa×s	813.88	Joback Calculated Property
η	0.0000232	Pa×s	892.60	Joback Calculated Property
η	0.0000161	Pa×s	971.31	Joback Calculated Property
η	0.0000119	Pa×s	1050.03	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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