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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[252.72; 549.23]	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			4.87910e+01
Coefficient B			8.40660e-01
Coefficient C			-3.44120e-04
Coefficient D			3.90000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	252.72	J/mol×K	273.00	Calculated Property
Cp,gas	303.30	J/mol×K	353.78	Calculated Property
Cp,gas	349.44	J/mol×K	434.56	Calculated Property
Cp,gas	391.16	J/mol×K	515.33	Calculated Property
Cp,gas	428.46	J/mol×K	596.11	Calculated Property
Cp,gas	461.37	J/mol×K	676.89	Calculated Property
Cp,gas	489.88	J/mol×K	757.67	Calculated Property
Cp,gas	514.02	J/mol×K	838.44	Calculated Property
Cp,gas	533.80	J/mol×K	919.22	Calculated Property
Cp,gas	549.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014486; 0.0001424]	Pa×s	[355.94; 587.98]	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			-1.24152e+01
Coefficient B			2.09221e+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.			355.94
Temperature range, max.			587.98
η	0.0014486	Pa×s	355.94	Calculated Property
η	0.0009739	Pa×s	381.72	Calculated Property
η	0.0006885	Pa×s	407.50	Calculated Property
η	0.0005073	Pa×s	433.29	Calculated Property
η	0.0003868	Pa×s	459.07	Calculated Property
η	0.0003035	Pa×s	484.85	Calculated Property
η	0.0002441	Pa×s	510.63	Calculated Property
η	0.0002005	Pa×s	536.41	Calculated Property
η	0.0001676	Pa×s	562.19	Calculated Property
η	0.0001424	Pa×s	587.98	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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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