Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, hexyl 2-methylbutyl ester

InChI

InChI=1S/C19H34O4/c1-4-6-7-10-13-22-18(20)16-11-8-9-12-17(16)19(21)23-14-15(3)5-2/h15-17H,4-14H2,1-3H3

InChI Key

QSGUPVRCZYGMES-UHFFFAOYSA-N

Formula

C19H34O4

SMILES

CCCCCCOC(=O)C1CCCCC1C(=O)OCC(C)CC

Molecular Weight¹

326.47

• 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	0.8074		Relay (1.0) Calculated Property
ΔfG°	-344.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-1014.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.92	kJ/mol	Joback Calculated Property
ΔvapH°	91.20	kJ/mol	Relay (1.0) Calculated Property
IE	9.59	eV	Relay (1.0) Calculated Property
log10WS	-4.91		Relay (1.0) Calculated Property
logPoct/wat	4.506		Crippen Calculated Property
McVol	282.590	ml/mol	McGowan Calculated Property
Pc	1303.29	kPa	Joback Calculated Property
Inp	[2174.00; 2174.00]
Inp	2174.00		NIST
Inp	2174.00		NIST
Tboil	613.68	K	Relay (1.0) Calculated Property
Tc	816.41	K	Relay (1.0) Calculated Property
Tfus	259.01	K	Relay (1.0) Calculated Property
Vc	1.030	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[909.24; 1006.00]	J/mol×K	[801.14; 997.68]
Cp,gas	909.24	J/mol×K	801.14	Joback Calculated Property
Cp,gas	928.59	J/mol×K	833.90	Joback Calculated Property
Cp,gas	946.62	J/mol×K	866.65	Joback Calculated Property
Cp,gas	963.37	J/mol×K	899.41	Joback Calculated Property
Cp,gas	978.84	J/mol×K	932.17	Joback Calculated Property
Cp,gas	993.04	J/mol×K	964.93	Joback Calculated Property
Cp,gas	1006.00	J/mol×K	997.68	Joback Calculated Property
η	[0.0000744; 0.0013131]	Pa×s	[436.35; 801.14]
η	0.0013131	Pa×s	436.35	Joback Calculated Property
η	0.0006075	Pa×s	497.15	Joback Calculated Property
η	0.0003324	Pa×s	557.95	Joback Calculated Property
η	0.0002048	Pa×s	618.75	Joback Calculated Property
η	0.0001376	Pa×s	679.54	Joback Calculated Property
η	0.0000987	Pa×s	740.34	Joback Calculated Property
η	0.0000744	Pa×s	801.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, hexyl 2-methylbutyl ester.

Sources

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

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