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

• 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).
• 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
ΔfG°	-344.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-896.39	kJ/mol	Joback Calculated Property
ΔfusH°	39.92	kJ/mol	Joback Calculated Property
ΔvapH°	75.93	kJ/mol	Joback Calculated Property
log10WS	-4.67		Crippen 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	801.14	K	Joback Calculated Property
Tc	997.68	K	Joback Calculated Property
Tfus	436.35	K	Joback Calculated Property
Vc	1.073	m3/kmol	Joback 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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.