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

InChI

InChI=1S/C23H34O4/c1-4-5-6-7-10-13-26-22(24)20-11-8-9-12-21(20)23(25)27-19-15-17(2)14-18(3)16-19/h14-16,20-21H,4-13H2,1-3H3

InChI Key

QHTQMYRAFMGSMP-UHFFFAOYSA-N

Formula

C23H34O4

SMILES

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

Molecular Weight¹

374.51

• 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	0.9257		Relay (... Calculated Property
ΔfG°	-215.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-865.99	kJ/mol	Relay (... Calculated Property
ΔfusH°	47.07	kJ/mol	Joback Calculated Property
ΔvapH°	110.46	kJ/mol	Relay (... Calculated Property
IE	8.26	eV	Relay (... Calculated Property
log10WS	-6.21		Relay (... Calculated Property
logPoct/wat	5.529		Crippen Calculated Property
McVol	315.190	ml/mol	McGowan Calculated Property
Pc	1221.70	kPa	Joback Calculated Property
Inp	[2698.00; 2698.00]
Inp	2698.00		NIST
Inp	2698.00		NIST
Tboil	664.90	K	Relay (... Calculated Property
Tc	904.33	K	Relay (... Calculated Property
Tfus	326.08	K	Relay (... Calculated Property
Vc	1.149	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1057.02; 1134.00]	J/mol×K	[929.74; 1148.49]
Cp,gas	1057.02	J/mol×K	929.74	Joback Calculated Property
Cp,gas	1073.91	J/mol×K	966.20	Joback Calculated Property
Cp,gas	1089.14	J/mol×K	1002.66	Joback Calculated Property
Cp,gas	1102.74	J/mol×K	1039.12	Joback Calculated Property
Cp,gas	1114.73	J/mol×K	1075.58	Joback Calculated Property
Cp,gas	1125.14	J/mol×K	1112.03	Joback Calculated Property
Cp,gas	1134.00	J/mol×K	1148.49	Joback Calculated Property
η	[0.0000496; 0.0004775]	Pa×s	[547.89; 929.74]
η	0.0004775	Pa×s	547.89	Joback Calculated Property
η	0.0002690	Pa×s	611.53	Joback Calculated Property
η	0.0001689	Pa×s	675.17	Joback Calculated Property
η	0.0001149	Pa×s	738.82	Joback Calculated Property
η	0.0000831	Pa×s	802.46	Joback Calculated Property
η	0.0000630	Pa×s	866.10	Joback Calculated Property
η	0.0000496	Pa×s	929.74	Joback Calculated Property

Similar Compounds

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

Sources

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

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