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

InChI

InChI=1S/C17H30O4/c1-3-5-9-13-21-17(19)15-11-8-7-10-14(15)16(18)20-12-6-4-2/h14-15H,3-13H2,1-2H3

InChI Key

MHLAFTPJAGNOOB-UHFFFAOYSA-N

Formula

C17H30O4

SMILES

CCCCCOC(=O)C1CCCCC1C(=O)OCCCC

Molecular Weight¹

298.42

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.7749		Relay (1.0) Calculated Property
ΔfH°gas	-951.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.27	kJ/mol	Joback Calculated Property
ΔvapH°	87.99	kJ/mol	Relay (1.0) Calculated Property
IE	9.61	eV	Relay (1.0) Calculated Property
log10WS	-4.32		Relay (1.0) Calculated Property
logPoct/wat	3.870		Crippen Calculated Property
McVol	254.410	ml/mol	McGowan Calculated Property
Pc	1495.35	kPa	Joback Calculated Property
Inp	[2031.00; 2031.00]
Inp	2031.00		NIST
Inp	2031.00		NIST
Tboil	593.69	K	Relay (1.0) Calculated Property
Tc	799.78	K	Relay (1.0) Calculated Property
Tfus	272.41	K	Relay (1.0) Calculated Property
Vc	0.935	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[789.64; 885.53]	J/mol×K	[755.82; 950.83]
Cp,gas	789.64	J/mol×K	755.82	Joback Calculated Property
Cp,gas	808.55	J/mol×K	788.32	Joback Calculated Property
Cp,gas	826.28	J/mol×K	820.82	Joback Calculated Property
Cp,gas	842.83	J/mol×K	853.33	Joback Calculated Property
Cp,gas	858.22	J/mol×K	885.83	Joback Calculated Property
Cp,gas	872.45	J/mol×K	918.33	Joback Calculated Property
Cp,gas	885.53	J/mol×K	950.83	Joback Calculated Property
η	[0.0001055; 0.0013472]	Pa×s	[428.81; 755.82]
η	0.0013472	Pa×s	428.81	Joback Calculated Property
η	0.0006936	Pa×s	483.31	Joback Calculated Property
η	0.0004086	Pa×s	537.81	Joback Calculated Property
η	0.0002653	Pa×s	592.31	Joback Calculated Property
η	0.0001852	Pa×s	646.82	Joback Calculated Property
η	0.0001368	Pa×s	701.32	Joback Calculated Property
η	0.0001055	Pa×s	755.82	Joback Calculated Property

Similar Compounds

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

Sources

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

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