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

InChI

InChI=1S/C17H30O4/c1-5-6-7-12-20-15(18)17(3,4)16(19)21-14-10-8-13(2)9-11-14/h13-14H,5-12H2,1-4H3

InChI Key

JZHWLWJOWPBOKY-UHFFFAOYSA-N

Formula

C17H30O4

SMILES

CCCCCOC(=O)C(C)(C)C(=O)OC1CCC(C)CC1

Molecular Weight¹

298.42

• 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	0.6966		Relay (1.0) Calculated Property
ΔfG°	-356.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-977.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.85	kJ/mol	Joback Calculated Property
ΔvapH°	80.47	kJ/mol	Relay (1.0) Calculated Property
IE	9.62	eV	Relay (1.0) Calculated Property
log10WS	-4.05		Relay (1.0) Calculated Property
logPoct/wat	3.868		Crippen Calculated Property
McVol	254.410	ml/mol	McGowan Calculated Property
Pc	1517.57	kPa	Joback Calculated Property
Inp	[1894.00; 1894.00]
Inp	1894.00		NIST
Inp	1894.00		NIST
Tboil	576.90	K	Relay (1.0) Calculated Property
Tc	785.34	K	Relay (1.0) Calculated Property
Tfus	254.06	K	Relay (1.0) Calculated Property
Vc	0.950	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[791.27; 888.80]	J/mol×K	[752.59; 955.09]
Cp,gas	791.27	J/mol×K	752.59	Joback Calculated Property
Cp,gas	810.64	J/mol×K	786.34	Joback Calculated Property
Cp,gas	828.74	J/mol×K	820.09	Joback Calculated Property
Cp,gas	845.57	J/mol×K	853.84	Joback Calculated Property
Cp,gas	861.17	J/mol×K	887.59	Joback Calculated Property
Cp,gas	875.57	J/mol×K	921.34	Joback Calculated Property
Cp,gas	888.80	J/mol×K	955.09	Joback Calculated Property
η	[0.0000864; 0.0013348]	Pa×s	[431.23; 752.59]
η	0.0013348	Pa×s	431.23	Joback Calculated Property
η	0.0006573	Pa×s	484.79	Joback Calculated Property
η	0.0003727	Pa×s	538.35	Joback Calculated Property
η	0.0002342	Pa×s	591.91	Joback Calculated Property
η	0.0001589	Pa×s	645.47	Joback Calculated Property
η	0.0001145	Pa×s	699.03	Joback Calculated Property
η	0.0000864	Pa×s	752.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, pentyl trans-4-methylcyclohexyl ester.

Sources

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

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