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

InChI

InChI=1S/C24H28O4/c1-2-3-17-27-23(25)20-14-7-8-15-21(20)24(26)28-22-16-10-9-13-19(22)18-11-5-4-6-12-18/h4-6,9-13,16,20-21H,2-3,7-8,14-15,17H2,1H3

InChI Key

AVRHQIICPUNRRP-UHFFFAOYSA-N

Formula

C24H28O4

SMILES

CCCCOC(=O)C1CCCCC1C(=O)Oc1ccccc1-c1ccccc1

Molecular Weight¹

380.48

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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
ω	0.8245		Relay (1.0) Calculated Property
ΔfusH°	47.25	kJ/mol	Joback Calculated Property
log10WS	-5.54		Relay (1.0) Calculated Property
logPoct/wat	5.409		Crippen Calculated Property
McVol	305.520	ml/mol	McGowan Calculated Property
Pc	1378.88	kPa	Joback Calculated Property
Inp	[2778.00; 2778.00]
Inp	2778.00		NIST
Inp	2778.00		NIST
Tboil	699.50	K	Relay (1.0) Calculated Property
Tc	966.47	K	Relay (1.0) Calculated Property
Tfus	331.57	K	Relay (1.0) Calculated Property
Vc	1.090	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1002.77; 1065.04]	J/mol×K	[938.38; 1174.82]
Cp,gas	1002.77	J/mol×K	938.38	Joback Calculated Property
Cp,gas	1017.77	J/mol×K	977.79	Joback Calculated Property
Cp,gas	1030.84	J/mol×K	1017.19	Joback Calculated Property
Cp,gas	1042.04	J/mol×K	1056.60	Joback Calculated Property
Cp,gas	1051.43	J/mol×K	1096.01	Joback Calculated Property
Cp,gas	1059.08	J/mol×K	1135.41	Joback Calculated Property
Cp,gas	1065.04	J/mol×K	1174.82	Joback Calculated Property
η	[0.0000328; 0.0005722]	Pa×s	[513.40; 938.38]
η	0.0005722	Pa×s	513.40	Joback Calculated Property
η	0.0002661	Pa×s	584.23	Joback Calculated Property
η	0.0001460	Pa×s	655.06	Joback Calculated Property
η	0.0000901	Pa×s	725.89	Joback Calculated Property
η	0.0000606	Pa×s	796.72	Joback Calculated Property
η	0.0000435	Pa×s	867.55	Joback Calculated Property
η	0.0000328	Pa×s	938.38	Joback Calculated Property

Similar Compounds

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

Sources

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

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