Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl ethyl ester

InChI

InChI=1S/C17H28O4/c1-2-20-16(18)14-10-6-7-11-15(14)17(19)21-12-13-8-4-3-5-9-13/h13-15H,2-12H2,1H3

InChI Key

MNGOTHKTFMBVNF-UHFFFAOYSA-N

Formula

C17H28O4

SMILES

CCOC(=O)C1CCCCC1C(=O)OCC1CCCCC1

Molecular Weight¹

296.40

• 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°	-334.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-795.51	kJ/mol	Joback Calculated Property
ΔfusH°	30.10	kJ/mol	Joback Calculated Property
ΔvapH°	72.30	kJ/mol	Joback Calculated Property
log10WS	-3.73		Crippen Calculated Property
logPoct/wat	3.479		Crippen Calculated Property
McVol	243.550	ml/mol	McGowan Calculated Property
Pc	1763.93	kPa	Joback Calculated Property
Inp	[2113.00; 2113.00]
Inp	2113.00		NIST
Inp	2113.00		NIST
Tboil	775.37	K	Joback Calculated Property
Tc	995.32	K	Joback Calculated Property
Tfus	436.19	K	Joback Calculated Property
Vc	0.900	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[785.99; 886.71]	J/mol×K	[775.37; 995.32]
Cp,gas	785.99	J/mol×K	775.37	Joback Calculated Property
Cp,gas	806.86	J/mol×K	812.03	Joback Calculated Property
Cp,gas	826.07	J/mol×K	848.69	Joback Calculated Property
Cp,gas	843.65	J/mol×K	885.35	Joback Calculated Property
Cp,gas	859.60	J/mol×K	922.00	Joback Calculated Property
Cp,gas	873.95	J/mol×K	958.66	Joback Calculated Property
Cp,gas	886.71	J/mol×K	995.32	Joback Calculated Property
η	[0.0001103; 0.0015707]	Pa×s	[436.19; 775.37]
η	0.0015707	Pa×s	436.19	Joback Calculated Property
η	0.0007826	Pa×s	492.72	Joback Calculated Property
η	0.0004501	Pa×s	549.25	Joback Calculated Property
η	0.0002870	Pa×s	605.78	Joback Calculated Property
η	0.0001976	Pa×s	662.31	Joback Calculated Property
η	0.0001443	Pa×s	718.84	Joback Calculated Property
η	0.0001103	Pa×s	775.37	Joback Calculated Property

Similar Compounds

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

Sources

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

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