Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, cyclobutyl hexyl ester

InChI

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

InChI Key

ZEJUBRIRNHIJNG-UHFFFAOYSA-N

Formula

C18H30O4

SMILES

CCCCCCOC(=O)C1CCCCC1C(=O)OC1CCC1

Molecular Weight¹

310.43

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-946.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.05	kJ/mol	Joback Calculated Property
ΔvapH°	96.13	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.55		Relay (1.0) Calculated Property
logPoct/wat	4.012		Crippen Calculated Property
McVol	257.640	ml/mol	McGowan Calculated Property
Inp	[2257.00; 2257.00]
Inp	2257.00		NIST
Inp	2257.00		NIST
Tboil	616.10	K	Relay (1.0) Calculated Property
Tfus	285.88	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[821.26; 922.33]	J/mol×K	[753.77; 957.13]
Cp,gas	821.26	J/mol×K	753.77	Joback Calculated Property
Cp,gas	841.65	J/mol×K	787.66	Joback Calculated Property
Cp,gas	860.57	J/mol×K	821.56	Joback Calculated Property
Cp,gas	878.07	J/mol×K	855.45	Joback Calculated Property
Cp,gas	894.18	J/mol×K	889.34	Joback Calculated Property
Cp,gas	908.92	J/mol×K	923.24	Joback Calculated Property
Cp,gas	922.33	J/mol×K	957.13	Joback Calculated Property
η	[0.0001487; 0.0025573]	Pa×s	[394.84; 753.77]
η	0.0025573	Pa×s	394.84	Joback Calculated Property
η	0.0011652	Pa×s	454.66	Joback Calculated Property
η	0.0006374	Pa×s	514.48	Joback Calculated Property
η	0.0003954	Pa×s	574.30	Joback Calculated Property
η	0.0002684	Pa×s	634.13	Joback Calculated Property
η	0.0001947	Pa×s	693.95	Joback Calculated Property
η	0.0001487	Pa×s	753.77	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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