Chemical Properties of Propanedioic acid, dicyclohexyl ester (CAS 1152-57-4)

InChI

InChI=1S/C15H24O4/c16-14(18-12-7-3-1-4-8-12)11-15(17)19-13-9-5-2-6-10-13/h12-13H,1-11H2

InChI Key

XNLLIRWJZUWAAJ-UHFFFAOYSA-N

Formula

C15H24O4

SMILES

O=C(CC(=O)OC1CCCCC1)OC1CCCCC1

Molecular Weight¹

268.35

CAS

1152-57-4

Other Names

• Dicyclohexyl malonate

• 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	-936.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.01	kJ/mol	Joback Calculated Property
ΔvapH°	93.70 ± 1.10	kJ/mol	NIST
log10WS	-3.63		Relay (1.0) Calculated Property
logPoct/wat	3.128		Crippen Calculated Property
McVol	215.370	ml/mol	McGowan Calculated Property
Inp	[1888.00; 1947.00]
Inp	1925.00		NIST
Inp	1932.00		NIST
Inp	1939.00		NIST
Inp	1947.00		NIST
Inp	Outlier 1888.00		NIST
Inp	1925.00		NIST
Inp	1932.00		NIST
Inp	1939.00		NIST
Inp	1947.00		NIST
Inp	1925.00		NIST
Tboil	598.85	K	Relay (1.0) Calculated Property
Tfus	276.92	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	[652.19; 756.53]	J/mol×K	[698.34; 921.59]
Cp,gas	652.19	J/mol×K	698.34	Joback Calculated Property
Cp,gas	673.70	J/mol×K	735.55	Joback Calculated Property
Cp,gas	693.53	J/mol×K	772.76	Joback Calculated Property
Cp,gas	711.70	J/mol×K	809.96	Joback Calculated Property
Cp,gas	728.25	J/mol×K	847.17	Joback Calculated Property
Cp,gas	743.18	J/mol×K	884.38	Joback Calculated Property
Cp,gas	756.53	J/mol×K	921.59	Joback Calculated Property
η	[0.0000933; 0.0039274]	Pa×s	[358.23; 698.34]
η	0.0039274	Pa×s	358.23	Joback Calculated Property
η	0.0013756	Pa×s	414.92	Joback Calculated Property
η	0.0006200	Pa×s	471.60	Joback Calculated Property
η	0.0003316	Pa×s	528.28	Joback Calculated Property
η	0.0002002	Pa×s	584.97	Joback Calculated Property
η	0.0001321	Pa×s	641.65	Joback Calculated Property
η	0.0000933	Pa×s	698.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanedioic 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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