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

InChI

InChI=1S/C26H40O4/c1-4-5-6-7-8-9-10-13-16-29-25(27)23-14-11-12-15-24(23)26(28)30-22-18-20(2)17-21(3)19-22/h17-19,23-24H,4-16H2,1-3H3

InChI Key

LEZCGOSBLSEKGG-UHFFFAOYSA-N

Formula

C26H40O4

SMILES

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

Molecular Weight¹

416.59

• 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°	-189.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-822.00	kJ/mol	Joback Calculated Property
ΔfusH°	54.84	kJ/mol	Joback Calculated Property
ΔvapH°	95.50	kJ/mol	Joback Calculated Property
log10WS	-7.71		Crippen Calculated Property
logPoct/wat	6.699		Crippen Calculated Property
McVol	357.460	ml/mol	McGowan Calculated Property
Pc	1008.45	kPa	Joback Calculated Property
Inp	[3013.00; 3013.00]
Inp	3013.00		NIST
Inp	3013.00		NIST
Tboil	998.38	K	Joback Calculated Property
Tc	1223.52	K	Joback Calculated Property
Tfus	581.70	K	Joback Calculated Property
Vc	1.363	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1242.11; 1314.51]	J/mol×K	[998.38; 1223.52]
Cp,gas	1242.11	J/mol×K	998.38	Joback Calculated Property
Cp,gas	1258.67	J/mol×K	1035.90	Joback Calculated Property
Cp,gas	1273.38	J/mol×K	1073.43	Joback Calculated Property
Cp,gas	1286.27	J/mol×K	1110.95	Joback Calculated Property
Cp,gas	1297.40	J/mol×K	1148.47	Joback Calculated Property
Cp,gas	1306.80	J/mol×K	1186.00	Joback Calculated Property
Cp,gas	1314.51	J/mol×K	1223.52	Joback Calculated Property
η	[0.0000323; 0.0003449]	Pa×s	[581.70; 998.38]
η	0.0003449	Pa×s	581.70	Joback Calculated Property
η	0.0001882	Pa×s	651.15	Joback Calculated Property
η	0.0001155	Pa×s	720.59	Joback Calculated Property
η	0.0000772	Pa×s	790.04	Joback Calculated Property
η	0.0000550	Pa×s	859.49	Joback Calculated Property
η	0.0000413	Pa×s	928.93	Joback Calculated Property
η	0.0000323	Pa×s	998.38	Joback Calculated Property

Similar Compounds

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

Sources

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

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