Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, isohexyl 3-methylbut-2-yl ester

InChI

InChI=1S/C19H34O4/c1-13(2)9-8-12-22-18(20)16-10-6-7-11-17(16)19(21)23-15(5)14(3)4/h13-17H,6-12H2,1-5H3

InChI Key

WMVCZLYJRCESGN-UHFFFAOYSA-N

Formula

C19H34O4

SMILES

CC(C)CCCOC(=O)C1CCCCC1C(=O)OC(C)C(C)C

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°	-349.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-906.95	kJ/mol	Joback Calculated Property
ΔfusH°	32.88	kJ/mol	Joback Calculated Property
ΔvapH°	75.16	kJ/mol	Joback Calculated Property
log10WS	-4.54		Crippen Calculated Property
logPoct/wat	4.360		Crippen Calculated Property
McVol	282.590	ml/mol	McGowan Calculated Property
Pc	1318.48	kPa	Joback Calculated Property
Inp	[2080.00; 2080.00]
Inp	2080.00		NIST
Inp	2080.00		NIST
Tboil	800.26	K	Joback Calculated Property
Tc	1001.13	K	Joback Calculated Property
Tfus	406.35	K	Joback Calculated Property
Vc	1.062	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[910.20; 1008.36]	J/mol×K	[800.26; 1001.13]
Cp,gas	910.20	J/mol×K	800.26	Joback Calculated Property
Cp,gas	929.97	J/mol×K	833.74	Joback Calculated Property
Cp,gas	948.36	J/mol×K	867.22	Joback Calculated Property
Cp,gas	965.38	J/mol×K	900.70	Joback Calculated Property
Cp,gas	981.04	J/mol×K	934.17	Joback Calculated Property
Cp,gas	995.36	J/mol×K	967.65	Joback Calculated Property
Cp,gas	1008.36	J/mol×K	1001.13	Joback Calculated Property
η	[0.0000628; 0.0019269]	Pa×s	[406.35; 800.26]
η	0.0019269	Pa×s	406.35	Joback Calculated Property
η	0.0007324	Pa×s	472.00	Joback Calculated Property
η	0.0003526	Pa×s	537.65	Joback Calculated Property
η	0.0001990	Pa×s	603.31	Joback Calculated Property
η	0.0001256	Pa×s	668.96	Joback Calculated Property
η	0.0000861	Pa×s	734.61	Joback Calculated Property
η	0.0000628	Pa×s	800.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, isohexyl 3-methylbut-2-yl ester.

Sources

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

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