Chemical Properties of 2(5H)-Furanone, 5-chloromethyl-3-methyl

InChI

InChI=1S/C6H7ClO2/c1-4-2-5(3-7)9-6(4)8/h2,5H,3H2,1H3

InChI Key

RWOREBHQQOTRGU-UHFFFAOYSA-N

Formula

C6H7ClO2

SMILES

CC1=CC(CCl)OC1=O

Molecular Weight¹

146.57

• 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

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	[135.14; 290.65]	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			7.57100e+00
Coefficient B			5.61220e-01
Coefficient C			-3.68840e-04
Coefficient D			9.07000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	135.14	J/mol×K	273.00	Calculated Property
Cp,gas	163.97	J/mol×K	353.78	Calculated Property
Cp,gas	189.24	J/mol×K	434.56	Calculated Property
Cp,gas	211.25	J/mol×K	515.33	Calculated Property
Cp,gas	230.27	J/mol×K	596.11	Calculated Property
Cp,gas	246.59	J/mol×K	676.89	Calculated Property
Cp,gas	260.50	J/mol×K	757.67	Calculated Property
Cp,gas	272.29	J/mol×K	838.44	Calculated Property
Cp,gas	282.25	J/mol×K	919.22	Calculated Property
Cp,gas	290.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015248; 0.0004386]	Pa×s	[260.85; 449.88]	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			-9.45148e+00
Coefficient B			7.73580e+02
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.			260.85
Temperature range, max.			449.88
η	0.0015248	Pa×s	260.85	Calculated Property
η	0.0012225	Pa×s	281.85	Calculated Property
η	0.0010106	Pa×s	302.86	Calculated Property
η	0.0008563	Pa×s	323.86	Calculated Property
η	0.0007404	Pa×s	344.86	Calculated Property
η	0.0006509	Pa×s	365.87	Calculated Property
η	0.0005803	Pa×s	386.87	Calculated Property
η	0.0005236	Pa×s	407.88	Calculated Property
η	0.0004771	Pa×s	428.88	Calculated Property
η	0.0004386	Pa×s	449.88	Calculated Property

Similar Compounds

Find more compounds similar to 2(5H)-Furanone, 5-chloromethyl-3-methyl.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.