Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, dodecyl 4-methoxyphenyl ester

InChI

InChI=1S/C27H42O5/c1-3-4-5-6-7-8-9-10-11-14-21-31-26(28)24-15-12-13-16-25(24)27(29)32-23-19-17-22(30-2)18-20-23/h17-20,24-25H,3-16,21H2,1-2H3

InChI Key

VSSFWSSBNIUSSY-UHFFFAOYSA-N

Formula

C27H42O5

SMILES

CCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)Oc1ccc(OC)cc1

Molecular Weight¹

446.62

• 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	1.1407		Relay (... Calculated Property
ΔfG°	-276.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-1041.21	kJ/mol	Relay (... Calculated Property
ΔfusH°	59.01	kJ/mol	Joback Calculated Property
ΔvapH°	129.97	kJ/mol	Relay (... Calculated Property
IE	8.36	eV	Relay (... Calculated Property
log10WS	-7.02		Relay (... Calculated Property
logPoct/wat	6.871		Crippen Calculated Property
McVol	377.420	ml/mol	McGowan Calculated Property
Pc	948.50	kPa	Joback Calculated Property
Inp	[3334.00; 3334.00]
Inp	3334.00		NIST
Inp	3334.00		NIST
Tboil	707.10	K	Relay (... Calculated Property
Tc	938.64	K	Relay (... Calculated Property
Tfus	348.18	K	Relay (... Calculated Property
Vc	1.383	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1333.49; 1394.47]	J/mol×K	[1038.70; 1271.71]
Cp,gas	1333.49	J/mol×K	1038.70	Joback Calculated Property
Cp,gas	1348.88	J/mol×K	1077.54	Joback Calculated Property
Cp,gas	1362.13	J/mol×K	1116.37	Joback Calculated Property
Cp,gas	1373.27	J/mol×K	1155.21	Joback Calculated Property
Cp,gas	1382.35	J/mol×K	1194.04	Joback Calculated Property
Cp,gas	1389.40	J/mol×K	1232.88	Joback Calculated Property
Cp,gas	1394.47	J/mol×K	1271.71	Joback Calculated Property
η	[0.0000200; 0.0002399]	Pa×s	[602.68; 1038.70]
η	0.0002399	Pa×s	602.68	Joback Calculated Property
η	0.0001268	Pa×s	675.35	Joback Calculated Property
η	0.0000759	Pa×s	748.02	Joback Calculated Property
η	0.0000497	Pa×s	820.69	Joback Calculated Property
η	0.0000349	Pa×s	893.36	Joback Calculated Property
η	0.0000258	Pa×s	966.03	Joback Calculated Property
η	0.0000200	Pa×s	1038.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, dodecyl 4-methoxyphenyl ester.

Sources

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

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