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

InChI

InChI=1S/C21H30O4/c1-4-5-8-11-24-20(22)18-9-6-7-10-19(18)21(23)25-17-13-15(2)12-16(3)14-17/h12-14,18-19H,4-11H2,1-3H3

InChI Key

TXXHXTCGMASHMM-UHFFFAOYSA-N

Formula

C21H30O4

SMILES

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

Molecular Weight¹

346.46

• 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°	-232.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-718.80	kJ/mol	Joback Calculated Property
ΔfusH°	41.89	kJ/mol	Joback Calculated Property
ΔvapH°	84.37	kJ/mol	Joback Calculated Property
log10WS	-5.62		Crippen Calculated Property
logPoct/wat	4.749		Crippen Calculated Property
McVol	287.010	ml/mol	McGowan Calculated Property
Pc	1403.79	kPa	Joback Calculated Property
Inp	[2504.00; 2504.00]
Inp	2504.00		NIST
Inp	2504.00		NIST
Tboil	883.98	K	Joback Calculated Property
Tc	1102.70	K	Joback Calculated Property
Tfus	525.35	K	Joback Calculated Property
Vc	1.083	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[935.87; 1015.31]	J/mol×K	[883.98; 1102.70]
Cp,gas	935.87	J/mol×K	883.98	Joback Calculated Property
Cp,gas	952.99	J/mol×K	920.43	Joback Calculated Property
Cp,gas	968.53	J/mol×K	956.89	Joback Calculated Property
Cp,gas	982.52	J/mol×K	993.34	Joback Calculated Property
Cp,gas	994.96	J/mol×K	1029.79	Joback Calculated Property
Cp,gas	1005.88	J/mol×K	1066.24	Joback Calculated Property
Cp,gas	1015.31	J/mol×K	1102.70	Joback Calculated Property
η	[0.0000654; 0.0005821]	Pa×s	[525.35; 883.98]
η	0.0005821	Pa×s	525.35	Joback Calculated Property
η	0.0003356	Pa×s	585.12	Joback Calculated Property
η	0.0002143	Pa×s	644.89	Joback Calculated Property
η	0.0001477	Pa×s	704.66	Joback Calculated Property
η	0.0001079	Pa×s	764.44	Joback Calculated Property
η	0.0000824	Pa×s	824.21	Joback Calculated Property
η	0.0000654	Pa×s	883.98	Joback Calculated Property

Similar Compounds

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

Sources

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

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