Chemical Properties of Isopropyl 3-chloro-5-formyl-4,6-dihydroxy-2-methylbenzoate (CAS 959266-90-1)

InChI

InChI=1S/C12H13ClO5/c1-5(2)18-12(17)8-6(3)9(13)11(16)7(4-14)10(8)15/h4-5,15-16H,1-3H3

InChI Key

NKIVWTXLVQIYGX-UHFFFAOYSA-N

Formula

C12H13ClO5

SMILES

Cc1c(Cl)c(O)c(C=O)c(O)c1C(=O)OC(C)C

Molecular Weight¹

272.68

CAS

959266-90-1

• 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°	-523.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-794.91	kJ/mol	Joback Calculated Property
ΔfusH°	37.03	kJ/mol	Joback Calculated Property
ΔvapH°	92.47	kJ/mol	Joback Calculated Property
log10WS	-3.16		Crippen Calculated Property
logPoct/wat	2.437		Crippen Calculated Property
McVol	189.170	ml/mol	McGowan Calculated Property
Pc	3480.65	kPa	Joback Calculated Property
Inp	[2001.20; 2001.20]
Inp	2001.20		NIST
Inp	2001.20		NIST
Tboil	838.76	K	Joback Calculated Property
Tc	1072.70	K	Joback Calculated Property
Tfus	641.50	K	Joback Calculated Property
Vc	0.616	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[521.94; 580.92]	J/mol×K	[838.76; 1072.70]
Cp,gas	521.94	J/mol×K	838.76	Joback Calculated Property
Cp,gas	532.12	J/mol×K	877.75	Joback Calculated Property
Cp,gas	542.03	J/mol×K	916.74	Joback Calculated Property
Cp,gas	551.76	J/mol×K	955.73	Joback Calculated Property
Cp,gas	561.41	J/mol×K	994.72	Joback Calculated Property
Cp,gas	571.10	J/mol×K	1033.71	Joback Calculated Property
Cp,gas	580.92	J/mol×K	1072.70	Joback Calculated Property
η	[0.0000005; 0.0000069]	Pa×s	[641.50; 838.76]
η	0.0000069	Pa×s	641.50	Joback Calculated Property
η	0.0000040	Pa×s	674.38	Joback Calculated Property
η	0.0000024	Pa×s	707.25	Joback Calculated Property
η	0.0000016	Pa×s	740.13	Joback Calculated Property
η	0.0000010	Pa×s	773.01	Joback Calculated Property
η	0.0000007	Pa×s	805.88	Joback Calculated Property
η	0.0000005	Pa×s	838.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isopropyl 3-chloro-5-formyl-4,6-dihydroxy-2-methylbenzoate.

Sources

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

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