Chemical Properties of 2-Hydroxy-cycloheptanecarboxylic acid ethyl ester, trans

InChI

InChI=1S/C10H18O3/c1-2-13-10(12)8-6-4-3-5-7-9(8)11/h8-9,11H,2-7H2,1H3/t8-,9-/m0/s1

InChI Key

ALKWBBFKXDLSML-IUCAKERBSA-N

Formula

C10H18O3

SMILES

CCOC(=O)C1CCCCCC1O

Molecular Weight¹

186.25

• 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°	20.92	kJ/mol	Joback Calculated Property
logPoct/wat	1.491		Crippen Calculated Property
McVol	154.210	ml/mol	McGowan Calculated Property
Inp	[1338.00; 1413.00]
Inp	1413.00		NIST
Inp	1338.00		NIST
Tboil	529.94	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	[416.00; 500.54]	J/mol×K	[597.95; 794.25]
Cp,gas	416.00	J/mol×K	597.95	Joback Calculated Property
Cp,gas	432.29	J/mol×K	630.67	Joback Calculated Property
Cp,gas	447.69	J/mol×K	663.38	Joback Calculated Property
Cp,gas	462.22	J/mol×K	696.10	Joback Calculated Property
Cp,gas	475.87	J/mol×K	728.82	Joback Calculated Property
Cp,gas	488.64	J/mol×K	761.53	Joback Calculated Property
Cp,gas	500.54	J/mol×K	794.25	Joback Calculated Property
η	[0.0000656; 0.0166276]	Pa×s	[305.23; 597.95]
η	0.0166276	Pa×s	305.23	Joback Calculated Property
η	0.0035002	Pa×s	354.02	Joback Calculated Property
η	0.0010747	Pa×s	402.80	Joback Calculated Property
η	0.0004259	Pa×s	451.59	Joback Calculated Property
η	0.0002021	Pa×s	500.38	Joback Calculated Property
η	0.0001095	Pa×s	549.16	Joback Calculated Property
η	0.0000656	Pa×s	597.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxy-cycloheptanecarboxylic acid ethyl ester, trans.

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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