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

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-DTWKUNHWSA-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	[1326.00; 1396.00]
Inp	1396.00		NIST
Inp	1326.00		NIST
Inp	1396.00		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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[205.71; 555.53]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.02890e+01
Coefficient B			1.01902e+00
Coefficient C			-4.35200e-04
Coefficient D			1.20000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.71	J/mol×K	273.00	Calculated Property
Cp,gas	266.28	J/mol×K	353.78	Calculated Property
Cp,gas	321.33	J/mol×K	434.56	Calculated Property
Cp,gas	370.91	J/mol×K	515.33	Calculated Property
Cp,gas	415.05	J/mol×K	596.11	Calculated Property
Cp,gas	453.80	J/mol×K	676.89	Calculated Property
Cp,gas	487.18	J/mol×K	757.67	Calculated Property
Cp,gas	515.23	J/mol×K	838.44	Calculated Property
Cp,gas	538.01	J/mol×K	919.22	Calculated Property
Cp,gas	555.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0166276; 0.0001014]	Pa×s	[305.23; 555.98]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.54039e+01
Coefficient B			3.45130e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			305.23
Temperature range, max.			555.98
η	0.0166276	Pa×s	305.23	Calculated Property
η	0.0064578	Pa×s	333.09	Calculated Property
η	0.0029024	Pa×s	360.95	Calculated Property
η	0.0014628	Pa×s	388.81	Calculated Property
η	0.0008080	Pa×s	416.67	Calculated Property
η	0.0004808	Pa×s	444.53	Calculated Property
η	0.0003042	Pa×s	472.39	Calculated Property
η	0.0002025	Pa×s	500.25	Calculated Property
η	0.0001407	Pa×s	528.11	Calculated Property
η	0.0001014	Pa×s	555.98	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxy-cycloheptanecarboxylic 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

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