Chemical Properties of Dimethylmalonic acid, cis-4-methylcyclohexyl hexyl 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

• 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	0.7361		Relay (1.0) Calculated Property
ΔfG°	-347.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-998.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.44	kJ/mol	Joback Calculated Property
ΔvapH°	83.89	kJ/mol	Relay (1.0) Calculated Property
IE	9.64	eV	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
Pc	1410.13	kPa	Joback Calculated Property
Inp	[2044.00; 2044.00]
Inp	2044.00		NIST
Inp	2044.00		NIST
Tboil	587.62	K	Relay (1.0) Calculated Property
Tc	795.85	K	Relay (1.0) Calculated Property
Tfus	255.27	K	Relay (1.0) Calculated Property
Vc	1.004	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[850.14; 947.70]	J/mol×K	[775.47; 976.62]
Cp,gas	850.14	J/mol×K	775.47	Joback Calculated Property
Cp,gas	869.57	J/mol×K	808.99	Joback Calculated Property
Cp,gas	887.69	J/mol×K	842.52	Joback Calculated Property
Cp,gas	904.54	J/mol×K	876.04	Joback Calculated Property
Cp,gas	920.13	J/mol×K	909.57	Joback Calculated Property
Cp,gas	934.51	J/mol×K	943.09	Joback Calculated Property
Cp,gas	947.70	J/mol×K	976.62	Joback Calculated Property
η	[0.0000751; 0.0012035]	Pa×s	[442.50; 775.47]
η	0.0012035	Pa×s	442.50	Joback Calculated Property
η	0.0005858	Pa×s	498.00	Joback Calculated Property
η	0.0003294	Pa×s	553.49	Joback Calculated Property
η	0.0002057	Pa×s	608.98	Joback Calculated Property
η	0.0001390	Pa×s	664.48	Joback Calculated Property
η	0.0000998	Pa×s	719.97	Joback Calculated Property
η	0.0000751	Pa×s	775.47	Joback Calculated Property

Similar Compounds

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

Sources

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

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