Chemical Properties of Isopropyl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate

InChI

InChI=1S/C12H15ClO4/c1-6(2)17-12(15)10-7(3)11(13)9(16-4)5-8(10)14/h5-6,14H,1-4H3

InChI Key

KJHOFASQYUCZPN-UHFFFAOYSA-N

Formula

C12H15ClO4

SMILES

COc1cc(O)c(C(=O)OC(C)C)c(C)c1Cl

Molecular Weight¹

258.70

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	31.72	kJ/mol	Joback Calculated Property
logPoct/wat	2.928		Crippen Calculated Property
McVol	187.600	ml/mol	McGowan Calculated Property
Inp	[1904.80; 1904.80]
Inp	1904.80		NIST
Inp	1904.80		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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[491.19; 554.42]	J/mol×K	[714.03; 935.05]
Cp,gas	491.19	J/mol×K	714.03	Joback Calculated Property
Cp,gas	503.52	J/mol×K	750.87	Joback Calculated Property
Cp,gas	515.09	J/mol×K	787.70	Joback Calculated Property
Cp,gas	525.93	J/mol×K	824.54	Joback Calculated Property
Cp,gas	536.08	J/mol×K	861.37	Joback Calculated Property
Cp,gas	545.56	J/mol×K	898.21	Joback Calculated Property
Cp,gas	554.42	J/mol×K	935.05	Joback Calculated Property
η	[0.0000094; 0.0002088]	Pa×s	[480.18; 714.03]
η	0.0002088	Pa×s	480.18	Joback Calculated Property
η	0.0001025	Pa×s	519.15	Joback Calculated Property
η	0.0000555	Pa×s	558.13	Joback Calculated Property
η	0.0000326	Pa×s	597.11	Joback Calculated Property
η	0.0000204	Pa×s	636.08	Joback Calculated Property
η	0.0000135	Pa×s	675.05	Joback Calculated Property
η	0.0000094	Pa×s	714.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isopropyl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate.

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.