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

InChI

InChI=1S/C18H32O4/c1-13(2)7-6-12-21-16(19)18(4,5)17(20)22-15-10-8-14(3)9-11-15/h13-15H,6-12H2,1-5H3

InChI Key

GKABQZJQDGTTPN-UHFFFAOYSA-N

Formula

C18H32O4

SMILES

CC(C)CCCOC(=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	0.7068		Relay (1.0) Calculated Property
ΔfG°	-350.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-1018.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.92	kJ/mol	Joback Calculated Property
ΔvapH°	82.63	kJ/mol	Relay (1.0) Calculated Property
IE	9.65	eV	Relay (1.0) Calculated Property
log10WS	-4.38		Relay (1.0) Calculated Property
logPoct/wat	4.114		Crippen Calculated Property
McVol	268.500	ml/mol	McGowan Calculated Property
Pc	1418.64	kPa	Joback Calculated Property
Inp	[2008.00; 2008.00]
Inp	2008.00		NIST
Inp	2008.00		NIST
Tboil	586.81	K	Relay (1.0) Calculated Property
Tc	790.54	K	Relay (1.0) Calculated Property
Tfus	262.95	K	Relay (1.0) Calculated Property
Vc	0.999	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[850.63; 949.11]	J/mol×K	[775.03; 978.85]
Cp,gas	850.63	J/mol×K	775.03	Joback Calculated Property
Cp,gas	870.32	J/mol×K	809.00	Joback Calculated Property
Cp,gas	888.66	J/mol×K	842.97	Joback Calculated Property
Cp,gas	905.68	J/mol×K	876.94	Joback Calculated Property
Cp,gas	921.41	J/mol×K	910.91	Joback Calculated Property
Cp,gas	935.87	J/mol×K	944.88	Joback Calculated Property
Cp,gas	949.11	J/mol×K	978.85	Joback Calculated Property
η	[0.0000691; 0.0014425]	Pa×s	[427.50; 775.03]
η	0.0014425	Pa×s	427.50	Joback Calculated Property
η	0.0006426	Pa×s	485.42	Joback Calculated Property
η	0.0003402	Pa×s	543.34	Joback Calculated Property
η	0.0002035	Pa×s	601.26	Joback Calculated Property
η	0.0001333	Pa×s	659.19	Joback Calculated Property
η	0.0000935	Pa×s	717.11	Joback Calculated Property
η	0.0000691	Pa×s	775.03	Joback Calculated Property

Similar Compounds

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

Sources

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

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