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

InChI

InChI=1S/C17H28O5/c1-2-3-10-21-16(18)14-8-4-5-9-15(14)17(19)22-12-13-7-6-11-20-13/h13-15H,2-12H2,1H3

InChI Key

WEXOBQVQMZSOEI-UHFFFAOYSA-N

Formula

C17H28O5

SMILES

CCCCOC(=O)C1CCCCC1C(=O)OCC1CCCO1

Molecular Weight¹

312.40

• ω : Acentric Factor.
• 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).
• 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	0.7267		Relay (1.0) Calculated Property
ΔfG°	-408.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-1041.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.18	kJ/mol	Joback Calculated Property
ΔvapH°	94.93	kJ/mol	Relay (1.0) Calculated Property
IE	9.53	eV	Relay (1.0) Calculated Property
log10WS	-2.78		Relay (1.0) Calculated Property
logPoct/wat	2.858		Crippen Calculated Property
McVol	249.420	ml/mol	McGowan Calculated Property
Pc	1714.61	kPa	Joback Calculated Property
Inp	[2218.00; 2218.00]
Inp	2218.00		NIST
Inp	2218.00		NIST
Tboil	628.01	K	Relay (1.0) Calculated Property
Tc	838.69	K	Relay (1.0) Calculated Property
Tfus	285.58	K	Relay (1.0) Calculated Property
Vc	0.931	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[816.88; 909.64]	J/mol×K	[798.05; 1011.49]
Cp,gas	816.88	J/mol×K	798.05	Joback Calculated Property
Cp,gas	836.02	J/mol×K	833.62	Joback Calculated Property
Cp,gas	853.65	J/mol×K	869.20	Joback Calculated Property
Cp,gas	869.81	J/mol×K	904.77	Joback Calculated Property
Cp,gas	884.52	J/mol×K	940.34	Joback Calculated Property
Cp,gas	897.79	J/mol×K	975.92	Joback Calculated Property
Cp,gas	909.64	J/mol×K	1011.49	Joback Calculated Property
η	[0.0001371; 0.0014714]	Pa×s	[466.28; 798.05]
η	0.0014714	Pa×s	466.28	Joback Calculated Property
η	0.0008033	Pa×s	521.57	Joback Calculated Property
η	0.0004925	Pa×s	576.87	Joback Calculated Property
η	0.0003289	Pa×s	632.16	Joback Calculated Property
η	0.0002344	Pa×s	687.46	Joback Calculated Property
η	0.0001757	Pa×s	742.75	Joback Calculated Property
η	0.0001371	Pa×s	798.05	Joback Calculated Property

Similar Compounds

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

Sources

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

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