Chemical Properties of 4-Chloro-m-cresol, isoBOC

InChI

InChI=1S/C12H15ClO3/c1-8(2)7-15-12(14)16-10-4-5-11(13)9(3)6-10/h4-6,8H,7H2,1-3H3

InChI Key

AMVZTDGGEWZDNH-UHFFFAOYSA-N

Formula

C12H15ClO3

SMILES

Cc1cc(OC(=O)OCC(C)C)ccc1Cl

Molecular Weight¹

242.70

• 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°	26.33	kJ/mol	Joback Calculated Property
logPoct/wat	3.820		Crippen Calculated Property
McVol	181.730	ml/mol	McGowan Calculated Property
Inp	[1665.00; 1665.00]
Inp	1665.00		NIST
Inp	1665.00		NIST
Tboil	562.51	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	[442.15; 514.44]	J/mol×K	[628.43; 839.96]
Cp,gas	442.15	J/mol×K	628.43	Joback Calculated Property
Cp,gas	456.29	J/mol×K	663.69	Joback Calculated Property
Cp,gas	469.59	J/mol×K	698.94	Joback Calculated Property
Cp,gas	482.05	J/mol×K	734.20	Joback Calculated Property
Cp,gas	493.68	J/mol×K	769.45	Joback Calculated Property
Cp,gas	504.47	J/mol×K	804.71	Joback Calculated Property
Cp,gas	514.44	J/mol×K	839.96	Joback Calculated Property
η	[0.0001133; 0.0014486]	Pa×s	[355.94; 628.43]
η	0.0014486	Pa×s	355.94	Joback Calculated Property
η	0.0007449	Pa×s	401.36	Joback Calculated Property
η	0.0004385	Pa×s	446.77	Joback Calculated Property
η	0.0002846	Pa×s	492.19	Joback Calculated Property
η	0.0001988	Pa×s	537.60	Joback Calculated Property
η	0.0001468	Pa×s	583.02	Joback Calculated Property
η	0.0001133	Pa×s	628.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Chloro-m-cresol, isoBOC.

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.
These property values are available through the Cheméo API. A free account gives you an access key.