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

InChI

InChI=1S/C18H30O4/c1-2-3-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-9-5-4-6-10-14/h14-16H,2-13H2,1H3

InChI Key

LZLBAKBZXZWMPZ-UHFFFAOYSA-N

Formula

C18H30O4

SMILES

CCCCOC(=O)C1CCCCC1C(=O)OC1CCCCC1

Molecular Weight¹

310.43

• 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°	-325.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-816.15	kJ/mol	Joback Calculated Property
ΔfusH°	32.69	kJ/mol	Joback Calculated Property
ΔvapH°	74.52	kJ/mol	Joback Calculated Property
log10WS	-4.50		Crippen Calculated Property
logPoct/wat	4.012		Crippen Calculated Property
McVol	257.640	ml/mol	McGowan Calculated Property
Pc	1629.85	kPa	Joback Calculated Property
Inp	[2181.00; 2181.00]
Inp	2181.00		NIST
Inp	2181.00		NIST
Tboil	798.25	K	Joback Calculated Property
Tc	1015.58	K	Joback Calculated Property
Tfus	447.46	K	Joback Calculated Property
Vc	0.957	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[845.52; 945.01]	J/mol×K	[798.25; 1015.58]
Cp,gas	845.52	J/mol×K	798.25	Joback Calculated Property
Cp,gas	866.22	J/mol×K	834.47	Joback Calculated Property
Cp,gas	885.24	J/mol×K	870.69	Joback Calculated Property
Cp,gas	902.61	J/mol×K	906.91	Joback Calculated Property
Cp,gas	918.35	J/mol×K	943.13	Joback Calculated Property
Cp,gas	932.48	J/mol×K	979.36	Joback Calculated Property
Cp,gas	945.01	J/mol×K	1015.58	Joback Calculated Property
η	[0.0000966; 0.0014280]	Pa×s	[447.46; 798.25]
η	0.0014280	Pa×s	447.46	Joback Calculated Property
η	0.0007032	Pa×s	505.92	Joback Calculated Property
η	0.0004011	Pa×s	564.39	Joback Calculated Property
η	0.0002542	Pa×s	622.86	Joback Calculated Property
η	0.0001742	Pa×s	681.32	Joback Calculated Property
η	0.0001267	Pa×s	739.79	Joback Calculated Property
η	0.0000966	Pa×s	798.25	Joback Calculated Property

Similar Compounds

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

Sources

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

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