Chemical Properties of Hexanedioic acid, dicyclohexyl ester (CAS 849-99-0)

InChI

InChI=1S/C18H30O4/c19-17(21-15-9-3-1-4-10-15)13-7-8-14-18(20)22-16-11-5-2-6-12-16/h15-16H,1-14H2

InChI Key

UTGUHFOMNVLJSL-UHFFFAOYSA-N

Formula

C18H30O4

SMILES

O=C(CCCCC(=O)OC1CCCCC1)OC1CCCCC1

Molecular Weight¹

310.43

CAS

849-99-0

Other Names

• Adipic acid, dicyclohexyl ester
• Dicyclohexyl adipate
• Ergoplast ADC
• Sipalin AOC
• Dicyclohexyl hexanedioate

• 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	-987.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.78	kJ/mol	Joback Calculated Property
ΔvapH°	106.30 ± 1.50	kJ/mol	NIST
log10WS	-4.18		Relay (1.0) Calculated Property
logPoct/wat	4.299		Crippen Calculated Property
McVol	257.640	ml/mol	McGowan Calculated Property
Inp	[2234.00; 2282.00]
Inp	2282.00		NIST
Inp	2247.00		NIST
Inp	2254.00		NIST
Inp	2261.00		NIST
Inp	2269.00		NIST
Inp	2234.00		NIST
Inp	2282.00		NIST
Inp	2282.00		NIST
Inp	2247.00		NIST
Inp	2254.00		NIST
Inp	2261.00		NIST
Inp	2269.00		NIST
Inp	2234.00		NIST
Tboil	633.60	K	Relay (1.0) Calculated Property
Tfus	308.50 ± 1.00	K	NIST

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	[826.53; 928.00]	J/mol×K	[766.98; 980.67]
Cp,gas	826.53	J/mol×K	766.98	Joback Calculated Property
Cp,gas	847.58	J/mol×K	802.59	Joback Calculated Property
Cp,gas	866.94	J/mol×K	838.21	Joback Calculated Property
Cp,gas	884.63	J/mol×K	873.82	Joback Calculated Property
Cp,gas	900.68	J/mol×K	909.44	Joback Calculated Property
Cp,gas	915.13	J/mol×K	945.05	Joback Calculated Property
Cp,gas	928.00	J/mol×K	980.67	Joback Calculated Property
η	[0.0000604; 0.0026510]	Pa×s	[392.04; 766.98]
η	0.0026510	Pa×s	392.04	Joback Calculated Property
η	0.0009150	Pa×s	454.53	Joback Calculated Property
η	0.0004085	Pa×s	517.02	Joback Calculated Property
η	0.0002170	Pa×s	579.51	Joback Calculated Property
η	0.0001304	Pa×s	642.00	Joback Calculated Property
η	0.0000857	Pa×s	704.49	Joback Calculated Property
η	0.0000604	Pa×s	766.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexanedioic acid, dicyclohexyl 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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