Chemical Properties of Carbonic acid, 2-chloroethyl cyclohexylmethyl ester

InChI

InChI=1S/C10H17ClO3/c11-6-7-13-10(12)14-8-9-4-2-1-3-5-9/h9H,1-8H2

InChI Key

ZVBGRKZOGKOZEI-UHFFFAOYSA-N

Formula

C10H17ClO3

SMILES

O=C(OCCCl)OCC1CCCCC1

Molecular Weight¹

220.69

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	23.25	kJ/mol	Joback Calculated Property
logPoct/wat	2.959		Crippen Calculated Property
McVol	166.450	ml/mol	McGowan Calculated Property
Inp	[1565.00; 1565.00]
Inp	1565.00		NIST
Inp	1565.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[224.65; 555.19]	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			-8.00700e+00
Coefficient B			9.64700e-01
Coefficient C			-4.16000e-04
Coefficient D			1.45000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	224.65	J/mol×K	273.00	Calculated Property
Cp,gas	281.86	J/mol×K	353.78	Calculated Property
Cp,gas	333.84	J/mol×K	434.56	Calculated Property
Cp,gas	380.64	J/mol×K	515.33	Calculated Property
Cp,gas	422.31	J/mol×K	596.11	Calculated Property
Cp,gas	458.88	J/mol×K	676.89	Calculated Property
Cp,gas	490.41	J/mol×K	757.67	Calculated Property
Cp,gas	516.94	J/mol×K	838.44	Calculated Property
Cp,gas	538.52	J/mol×K	919.22	Calculated Property
Cp,gas	555.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039271; 0.0002048]	Pa×s	[304.32; 539.99]	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			-1.23072e+01
Coefficient B			2.05944e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			304.32
Temperature range, max.			539.99
η	0.0039271	Pa×s	304.32	Calculated Property
η	0.0022973	Pa×s	330.51	Calculated Property
η	0.0014540	Pa×s	356.69	Calculated Property
η	0.0009796	Pa×s	382.88	Calculated Property
η	0.0006943	Pa×s	409.06	Calculated Property
η	0.0005128	Pa×s	435.25	Calculated Property
η	0.0003921	Pa×s	461.43	Calculated Property
η	0.0003085	Pa×s	487.62	Calculated Property
η	0.0002488	Pa×s	513.80	Calculated Property
η	0.0002048	Pa×s	539.99	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, 2-chloroethyl cyclohexylmethyl 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

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