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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-374.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-664.24	kJ/mol	Joback Calculated Property
ΔfusH°	30.14	kJ/mol	Joback Calculated Property
ΔvapH°	75.14	kJ/mol	Joback Calculated Property
log10WS	-3.49		Crippen Calculated Property
logPoct/wat	2.928		Crippen Calculated Property
McVol	187.600	ml/mol	McGowan Calculated Property
Pc	2670.78	kPa	Joback Calculated Property
Inp	[1904.80; 1904.80]
Inp	1904.80		NIST
Inp	1904.80		NIST
Tboil	731.90	K	Joback Calculated Property
Tc	954.64	K	Joback Calculated Property
Tfus	510.01	K	Joback Calculated Property
Vc	0.650	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[494.23; 557.71]	J/mol×K	[731.90; 954.64]
Cp,gas	494.23	J/mol×K	731.90	Joback Calculated Property
Cp,gas	506.47	J/mol×K	769.02	Joback Calculated Property
Cp,gas	517.99	J/mol×K	806.15	Joback Calculated Property
Cp,gas	528.85	J/mol×K	843.27	Joback Calculated Property
Cp,gas	539.07	J/mol×K	880.39	Joback Calculated Property
Cp,gas	548.68	J/mol×K	917.52	Joback Calculated Property
Cp,gas	557.71	J/mol×K	954.64	Joback Calculated Property
η	[0.0000098; 0.0001447]	Pa×s	[510.01; 731.90]
η	0.0001447	Pa×s	510.01	Joback Calculated Property
η	0.0000794	Pa×s	546.99	Joback Calculated Property
η	0.0000470	Pa×s	583.97	Joback Calculated Property
η	0.0000296	Pa×s	620.96	Joback Calculated Property
η	0.0000196	Pa×s	657.94	Joback Calculated Property
η	0.0000136	Pa×s	694.92	Joback Calculated Property
η	0.0000098	Pa×s	731.90	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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