Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, di(2-methylbutyl) ester

InChI

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

InChI Key

FWZDSPHHDLTINI-UHFFFAOYSA-N

Formula

C18H32O4

SMILES

CCC(C)COC(=O)C1CCCCC1C(=O)OCC(C)CC

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	0.7323		Relay (... Calculated Property
ΔfG°	-355.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-1022.31	kJ/mol	Relay (... Calculated Property
ΔfusH°	33.81	kJ/mol	Joback Calculated Property
ΔvapH°	86.17	kJ/mol	Relay (... Calculated Property
IE	9.54	eV	Relay (... Calculated Property
log10WS	-4.59		Relay (... Calculated Property
logPoct/wat	3.971		Crippen Calculated Property
McVol	268.500	ml/mol	McGowan Calculated Property
Pc	1406.95	kPa	Joback Calculated Property
Inp	[2050.00; 2050.00]
Inp	2050.00		NIST
Inp	2050.00		NIST
Tboil	604.64	K	Relay (... Calculated Property
Tc	800.49	K	Relay (... Calculated Property
Tfus	262.95	K	Relay (... Calculated Property
Vc	0.967	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[849.75; 947.45]	J/mol×K	[777.82; 976.97]
Cp,gas	849.75	J/mol×K	777.82	Joback Calculated Property
Cp,gas	869.25	J/mol×K	811.01	Joback Calculated Property
Cp,gas	887.45	J/mol×K	844.20	Joback Calculated Property
Cp,gas	904.36	J/mol×K	877.39	Joback Calculated Property
Cp,gas	919.99	J/mol×K	910.59	Joback Calculated Property
Cp,gas	934.35	J/mol×K	943.78	Joback Calculated Property
Cp,gas	947.45	J/mol×K	976.97	Joback Calculated Property
η	[0.0000784; 0.0017505]	Pa×s	[410.08; 777.82]
η	0.0017505	Pa×s	410.08	Joback Calculated Property
η	0.0007450	Pa×s	471.37	Joback Calculated Property
η	0.0003860	Pa×s	532.66	Joback Calculated Property
η	0.0002290	Pa×s	593.95	Joback Calculated Property
η	0.0001498	Pa×s	655.24	Joback Calculated Property
η	0.0001054	Pa×s	716.53	Joback Calculated Property
η	0.0000784	Pa×s	777.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, di(2-methylbutyl) ester.

Sources

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

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