Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, dicyclobutyl ester

InChI

InChI=1S/C16H24O4/c17-15(19-11-5-3-6-11)13-9-1-2-10-14(13)16(18)20-12-7-4-8-12/h11-14H,1-10H2

InChI Key

XBPOBMVRHJGQKA-UHFFFAOYSA-N

Formula

C16H24O4

SMILES

O=C(OC1CCC1)C1CCCCC1C(=O)OC1CCC1

Molecular Weight¹

280.36

• 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°	-269.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-695.91	kJ/mol	Joback Calculated Property
ΔfusH°	27.75	kJ/mol	Joback Calculated Property
ΔvapH°	69.81	kJ/mol	Joback Calculated Property
log10WS	-3.67		Crippen Calculated Property
logPoct/wat	2.984		Crippen Calculated Property
McVol	218.600	ml/mol	McGowan Calculated Property
Pc	2104.20	kPa	Joback Calculated Property
Inp	[2015.00; 2015.00]
Inp	2015.00		NIST
Inp	2015.00		NIST
Tboil	754.96	K	Joback Calculated Property
Tc	984.83	K	Joback Calculated Property
Tfus	446.38	K	Joback Calculated Property
Vc	0.809	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[708.40; 809.73]	J/mol×K	[754.96; 984.83]
Cp,gas	708.40	J/mol×K	754.96	Joback Calculated Property
Cp,gas	729.14	J/mol×K	793.27	Joback Calculated Property
Cp,gas	748.27	J/mol×K	831.58	Joback Calculated Property
Cp,gas	765.83	J/mol×K	869.90	Joback Calculated Property
Cp,gas	781.89	J/mol×K	908.21	Joback Calculated Property
Cp,gas	796.50	J/mol×K	946.52	Joback Calculated Property
Cp,gas	809.73	J/mol×K	984.83	Joback Calculated Property
η	[0.0005023; 0.0026718]	Pa×s	[446.38; 754.96]
η	0.0026718	Pa×s	446.38	Joback Calculated Property
η	0.0017512	Pa×s	497.81	Joback Calculated Property
η	0.0012423	Pa×s	549.24	Joback Calculated Property
η	0.0009347	Pa×s	600.67	Joback Calculated Property
η	0.0007355	Pa×s	652.10	Joback Calculated Property
η	0.0005994	Pa×s	703.53	Joback Calculated Property
η	0.0005023	Pa×s	754.96	Joback Calculated Property

Similar Compounds

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

Sources

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

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