Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl hexyl ester

InChI

InChI=1S/C22H32O4/c1-4-5-6-9-12-25-21(23)19-10-7-8-11-20(19)22(24)26-18-14-16(2)13-17(3)15-18/h13-15,19-20H,4-12H2,1-3H3

InChI Key

NMMOYWHHQOWBCG-UHFFFAOYSA-N

Formula

C22H32O4

SMILES

CCCCCCOC(=O)C1CCCCC1C(=O)Oc1cc(C)cc(C)c1

Molecular Weight¹

360.49

• 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°	-223.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-739.44	kJ/mol	Joback Calculated Property
ΔfusH°	44.48	kJ/mol	Joback Calculated Property
ΔvapH°	86.60	kJ/mol	Joback Calculated Property
log10WS	-6.03		Crippen Calculated Property
logPoct/wat	5.139		Crippen Calculated Property
McVol	301.100	ml/mol	McGowan Calculated Property
Pc	1308.01	kPa	Joback Calculated Property
Inp	[2601.00; 2601.00]
Inp	2601.00		NIST
Inp	2601.00		NIST
Tboil	906.86	K	Joback Calculated Property
Tc	1125.21	K	Joback Calculated Property
Tfus	536.62	K	Joback Calculated Property
Vc	1.139	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[996.18; 1074.46]	J/mol×K	[906.86; 1125.21]
Cp,gas	996.18	J/mol×K	906.86	Joback Calculated Property
Cp,gas	1013.19	J/mol×K	943.25	Joback Calculated Property
Cp,gas	1028.58	J/mol×K	979.64	Joback Calculated Property
Cp,gas	1042.38	J/mol×K	1016.03	Joback Calculated Property
Cp,gas	1054.61	J/mol×K	1052.43	Joback Calculated Property
Cp,gas	1065.29	J/mol×K	1088.82	Joback Calculated Property
Cp,gas	1074.46	J/mol×K	1125.21	Joback Calculated Property
η	[0.0000570; 0.0005283]	Pa×s	[536.62; 906.86]
η	0.0005283	Pa×s	536.62	Joback Calculated Property
η	0.0003011	Pa×s	598.33	Joback Calculated Property
η	0.0001906	Pa×s	660.03	Joback Calculated Property
η	0.0001305	Pa×s	721.74	Joback Calculated Property
η	0.0000948	Pa×s	783.45	Joback Calculated Property
η	0.0000722	Pa×s	845.15	Joback Calculated Property
η	0.0000570	Pa×s	906.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl hexyl ester.

Sources

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

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