Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, butyl 2-isopropylphenyl ester

InChI

InChI=1S/C21H30O4/c1-4-5-14-24-20(22)17-11-6-7-12-18(17)21(23)25-19-13-9-8-10-16(19)15(2)3/h8-10,13,15,17-18H,4-7,11-12,14H2,1-3H3

InChI Key

LCENJWAQECFSFJ-UHFFFAOYSA-N

Formula

C21H30O4

SMILES

CCCCOC(=O)C1CCCCC1C(=O)Oc1ccccc1C(C)C

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°	-224.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-712.61	kJ/mol	Joback Calculated Property
ΔfusH°	38.75	kJ/mol	Joback Calculated Property
ΔvapH°	83.32	kJ/mol	Joback Calculated Property
log10WS	-5.43		Crippen Calculated Property
logPoct/wat	4.865		Crippen Calculated Property
McVol	287.010	ml/mol	McGowan Calculated Property
Pc	1428.30	kPa	Joback Calculated Property
Inp	[2385.00; 2385.00]
Inp	2385.00		NIST
Inp	2385.00		NIST
Tboil	878.56	K	Joback Calculated Property
Tc	1098.94	K	Joback Calculated Property
Tfus	497.83	K	Joback Calculated Property
Vc	1.077	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[937.00; 1017.85]	J/mol×K	[878.56; 1098.94]
Cp,gas	937.00	J/mol×K	878.56	Joback Calculated Property
Cp,gas	954.42	J/mol×K	915.29	Joback Calculated Property
Cp,gas	970.22	J/mol×K	952.02	Joback Calculated Property
Cp,gas	984.44	J/mol×K	988.75	Joback Calculated Property
Cp,gas	997.10	J/mol×K	1025.48	Joback Calculated Property
Cp,gas	1008.23	J/mol×K	1062.21	Joback Calculated Property
Cp,gas	1017.85	J/mol×K	1098.94	Joback Calculated Property
η	[0.0000587; 0.0007467]	Pa×s	[497.83; 878.56]
η	0.0007467	Pa×s	497.83	Joback Calculated Property
η	0.0003846	Pa×s	561.28	Joback Calculated Property
η	0.0002267	Pa×s	624.74	Joback Calculated Property
η	0.0001473	Pa×s	688.19	Joback Calculated Property
η	0.0001030	Pa×s	751.65	Joback Calculated Property
η	0.0000761	Pa×s	815.11	Joback Calculated Property
η	0.0000587	Pa×s	878.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, butyl 2-isopropylphenyl ester.

Sources

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

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