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

InChI

InChI=1S/C18H24O4/c1-4-21-17(19)14-7-5-6-8-15(14)18(20)22-16-11-12(2)9-10-13(16)3/h9-11,14-15H,4-8H2,1-3H3

InChI Key

BIDXSBNEBPNZMM-UHFFFAOYSA-N

Formula

C18H24O4

SMILES

CCOC(=O)C1CCCCC1C(=O)Oc1cc(C)ccc1C

Molecular Weight¹

304.38

• 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°	-257.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-656.88	kJ/mol	Joback Calculated Property
ΔfusH°	34.12	kJ/mol	Joback Calculated Property
ΔvapH°	77.69	kJ/mol	Joback Calculated Property
log10WS	-4.36		Crippen Calculated Property
logPoct/wat	3.578		Crippen Calculated Property
McVol	244.740	ml/mol	McGowan Calculated Property
Pc	1763.93	kPa	Joback Calculated Property
Inp	[2206.00; 2206.00]
Inp	2206.00		NIST
Inp	2206.00		NIST
Tboil	815.34	K	Joback Calculated Property
Tc	1039.34	K	Joback Calculated Property
Tfus	491.54	K	Joback Calculated Property
Vc	0.915	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[758.78; 840.69]	J/mol×K	[815.34; 1039.34]
Cp,gas	758.78	J/mol×K	815.34	Joback Calculated Property
Cp,gas	776.13	J/mol×K	852.67	Joback Calculated Property
Cp,gas	791.99	J/mol×K	890.01	Joback Calculated Property
Cp,gas	806.37	J/mol×K	927.34	Joback Calculated Property
Cp,gas	819.27	J/mol×K	964.67	Joback Calculated Property
Cp,gas	830.71	J/mol×K	1002.01	Joback Calculated Property
Cp,gas	840.69	J/mol×K	1039.34	Joback Calculated Property
η	[0.0000966; 0.0007577]	Pa×s	[491.54; 815.34]
η	0.0007577	Pa×s	491.54	Joback Calculated Property
η	0.0004536	Pa×s	545.51	Joback Calculated Property
η	0.0002978	Pa×s	599.47	Joback Calculated Property
η	0.0002096	Pa×s	653.44	Joback Calculated Property
η	0.0001557	Pa×s	707.41	Joback Calculated Property
η	0.0001206	Pa×s	761.37	Joback Calculated Property
η	0.0000966	Pa×s	815.34	Joback Calculated Property

Similar Compounds

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

Sources

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

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