Chemical Properties of 2-Hydroxy-3-methoxybenzaldehyde, acetate

InChI

InChI=1S/C10H10O4/c1-7(12)14-10-8(6-11)4-3-5-9(10)13-2/h3-6H,1-2H3

InChI Key

XRERBLZFZMBKRU-UHFFFAOYSA-N

Formula

C10H10O4

SMILES

COc1cccc(C=O)c1OC(C)=O

Molecular Weight¹

194.18

• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	22.77	kJ/mol	Joback Calculated Property
IE	8.44	eV	Relay (1.0) Calculated Property
log10WS	-1.81		Relay (1.0) Calculated Property
logPoct/wat	1.433		Crippen Calculated Property
McVol	142.880	ml/mol	McGowan Calculated Property
Inp	[1522.90; 1522.90]
Inp	1522.90		NIST
Inp	1522.90		NIST
Tboil	554.97	K	Relay (1.0) Calculated Property
Tfus	309.43	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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	[202.12; 428.02]	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			5.08000e+01
Coefficient B			6.12440e-01
Coefficient C			-2.04720e-04
Coefficient D			-3.05000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	202.12	J/mol×K	273.00	Calculated Property
Cp,gas	240.49	J/mol×K	353.78	Calculated Property
Cp,gas	275.78	J/mol×K	434.56	Calculated Property
Cp,gas	307.87	J/mol×K	515.33	Calculated Property
Cp,gas	336.67	J/mol×K	596.11	Calculated Property
Cp,gas	362.10	J/mol×K	676.89	Calculated Property
Cp,gas	384.04	J/mol×K	757.67	Calculated Property
Cp,gas	402.40	J/mol×K	838.44	Calculated Property
Cp,gas	417.10	J/mol×K	919.22	Calculated Property
Cp,gas	428.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014012; 0.0002104]	Pa×s	[360.48; 565.15]	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			-1.18062e+01
Coefficient B			1.88738e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			360.48
Temperature range, max.			565.15
η	0.0014012	Pa×s	360.48	Calculated Property
η	0.0010270	Pa×s	383.22	Calculated Property
η	0.0007794	Pa×s	405.96	Calculated Property
η	0.0006090	Pa×s	428.70	Calculated Property
η	0.0004879	Pa×s	451.45	Calculated Property
η	0.0003992	Pa×s	474.19	Calculated Property
η	0.0003328	Pa×s	496.93	Calculated Property
η	0.0002818	Pa×s	519.67	Calculated Property
η	0.0002420	Pa×s	542.41	Calculated Property
η	0.0002104	Pa×s	565.15	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxy-3-methoxybenzaldehyde, acetate.

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.
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