Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, di(5-methoxy-3-methylpentyl) ester

InChI

InChI=1S/C22H40O6/c1-17(9-13-25-3)11-15-27-21(23)19-7-5-6-8-20(19)22(24)28-16-12-18(2)10-14-26-4/h17-20H,5-16H2,1-4H3

InChI Key

IZOWJPQLTPMKMD-UHFFFAOYSA-N

Formula

C22H40O6

SMILES

COCCC(C)CCOC(=O)C1CCCCC1C(=O)OCCC(C)CCOC

Molecular Weight¹

400.55

• 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°	-531.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-1228.03	kJ/mol	Joback Calculated Property
ΔfusH°	46.55	kJ/mol	Joback Calculated Property
ΔvapH°	87.04	kJ/mol	Joback Calculated Property
log10WS	-3.86		Crippen Calculated Property
logPoct/wat	4.005		Crippen Calculated Property
McVol	336.600	ml/mol	McGowan Calculated Property
Pc	1051.41	kPa	Joback Calculated Property
Inp	[2749.00; 2749.00]
Inp	2749.00		NIST
Inp	2749.00		NIST
Tboil	914.18	K	Joback Calculated Property
Tc	1120.85	K	Joback Calculated Property
Tfus	499.62	K	Joback Calculated Property
Vc	1.272	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1157.12; 1239.86]	J/mol×K	[914.18; 1120.85]
Cp,gas	1157.12	J/mol×K	914.18	Joback Calculated Property
Cp,gas	1175.31	J/mol×K	948.62	Joback Calculated Property
Cp,gas	1191.75	J/mol×K	983.07	Joback Calculated Property
Cp,gas	1206.42	J/mol×K	1017.51	Joback Calculated Property
Cp,gas	1219.33	J/mol×K	1051.96	Joback Calculated Property
Cp,gas	1230.48	J/mol×K	1086.40	Joback Calculated Property
Cp,gas	1239.86	J/mol×K	1120.85	Joback Calculated Property
η	[0.0000246; 0.0004993]	Pa×s	[499.62; 914.18]
η	0.0004993	Pa×s	499.62	Joback Calculated Property
η	0.0002230	Pa×s	568.71	Joback Calculated Property
η	0.0001186	Pa×s	637.81	Joback Calculated Property
η	0.0000714	Pa×s	706.90	Joback Calculated Property
η	0.0000470	Pa×s	775.99	Joback Calculated Property
η	0.0000331	Pa×s	845.09	Joback Calculated Property
η	0.0000246	Pa×s	914.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, di(5-methoxy-3-methylpentyl) ester.

Sources

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

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