Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, undecyl 4-isopropyloxyphenyl diester

InChI

InChI=1S/C28H44O5/c1-4-5-6-7-8-9-10-11-14-21-31-27(29)25-15-12-13-16-26(25)28(30)33-24-19-17-23(18-20-24)32-22(2)3/h17-20,22,25-26H,4-16,21H2,1-3H3

InChI Key

AZCWAFJFQRQFQS-UHFFFAOYSA-N

Formula

C28H44O5

SMILES

CCCCCCCCCCCOC(=O)C1CCCCC1C(=O)Oc1ccc(OC(C)C)cc1

Molecular Weight¹

460.65

Other Names

• 1,2-Cyclohexanedicarboxylic acid, 4-isopropylphenyl undecyl ester

• 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	1.1342		Relay (1.0) Calculated Property
ΔfG°	-270.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-1098.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.07	kJ/mol	Joback Calculated Property
ΔvapH°	126.48	kJ/mol	Relay (1.0) Calculated Property
IE	8.54	eV	Relay (1.0) Calculated Property
log10WS	-6.90		Relay (1.0) Calculated Property
logPoct/wat	7.260		Crippen Calculated Property
McVol	391.510	ml/mol	McGowan Calculated Property
Pc	899.10	kPa	Joback Calculated Property
Inp	[3177.00; 3177.00]
Inp	3177.00		NIST
Inp	3177.00		NIST
Tboil	705.34	K	Relay (1.0) Calculated Property
Tc	932.00	K	Relay (1.0) Calculated Property
Tfus	351.64	K	Relay (1.0) Calculated Property
Vc	1.443	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1395.91; 1453.21]	J/mol×K	[1061.14; 1299.61]
Cp,gas	1395.91	J/mol×K	1061.14	Joback Calculated Property
Cp,gas	1411.01	J/mol×K	1100.89	Joback Calculated Property
Cp,gas	1423.83	J/mol×K	1140.63	Joback Calculated Property
Cp,gas	1434.42	J/mol×K	1180.38	Joback Calculated Property
Cp,gas	1442.81	J/mol×K	1220.12	Joback Calculated Property
Cp,gas	1449.06	J/mol×K	1259.87	Joback Calculated Property
Cp,gas	1453.21	J/mol×K	1299.61	Joback Calculated Property
η	[0.0000155; 0.0002293]	Pa×s	[598.95; 1061.14]
η	0.0002293	Pa×s	598.95	Joback Calculated Property
η	0.0001134	Pa×s	675.98	Joback Calculated Property
η	0.0000648	Pa×s	753.01	Joback Calculated Property
η	0.0000410	Pa×s	830.04	Joback Calculated Property
η	0.0000281	Pa×s	907.08	Joback Calculated Property
η	0.0000204	Pa×s	984.11	Joback Calculated Property
η	0.0000155	Pa×s	1061.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, undecyl 4-isopropyloxyphenyl diester.

Sources

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

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