Chemical Properties of 2-Hydroxy-cyclohexanecarboxylic acid ethyl ester, cis

InChI

InChI=1S/C9H16O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7-8,10H,2-6H2,1H3/t7-,8+/m1/s1

InChI Key

WOGRTPJVNNCUKN-SFYZADRCSA-N

Formula

C9H16O3

SMILES

CCOC(=O)C1CCCCC1O

Molecular Weight¹

172.22

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.43	kJ/mol	Joback Calculated Property
logPoct/wat	1.101		Crippen Calculated Property
McVol	140.120	ml/mol	McGowan Calculated Property
Inp	[1189.00; 1263.00]
Inp	1263.00		NIST
Inp	1189.00		NIST
Inp	1263.00		NIST
Tboil	513.25	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[365.04; 442.86]	J/mol×K	[570.80; 763.42]
Cp,gas	365.04	J/mol×K	570.80	Joback Calculated Property
Cp,gas	379.91	J/mol×K	602.90	Joback Calculated Property
Cp,gas	394.02	J/mol×K	635.01	Joback Calculated Property
Cp,gas	407.36	J/mol×K	667.11	Joback Calculated Property
Cp,gas	419.94	J/mol×K	699.21	Joback Calculated Property
Cp,gas	431.77	J/mol×K	731.32	Joback Calculated Property
Cp,gas	442.86	J/mol×K	763.42	Joback Calculated Property
η	[0.0001034; 0.0163064]	Pa×s	[297.48; 570.80]
η	0.0163064	Pa×s	297.48	Joback Calculated Property
η	0.0040075	Pa×s	343.03	Joback Calculated Property
η	0.0013686	Pa×s	388.59	Joback Calculated Property
η	0.0005856	Pa×s	434.14	Joback Calculated Property
η	0.0002944	Pa×s	479.69	Joback Calculated Property
η	0.0001668	Pa×s	525.25	Joback Calculated Property
η	0.0001034	Pa×s	570.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxy-cyclohexanecarboxylic acid ethyl ester, cis.

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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