Chemical Properties of Ethyl 2,4-dihydroxy-3,6-dimethylbenzoate

InChI

InChI=1S/C11H14O4/c1-4-15-11(14)9-6(2)5-8(12)7(3)10(9)13/h5,12-13H,4H2,1-3H3

InChI Key

VJLLNFDLMWPNBN-UHFFFAOYSA-N

Formula

C11H14O4

SMILES

CCOC(=O)c1c(C)cc(O)c(C)c1O

Molecular Weight¹

210.23

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• P_c : Critical Pressure (kPa).
• 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
ΔfH°gas	-724.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.86	kJ/mol	Joback Calculated Property
ΔvapH°	92.81	kJ/mol	Relay (1.0) Calculated Property
IE	7.87	eV	Relay (1.0) Calculated Property
log10WS	-2.63		Relay (1.0) Calculated Property
logPoct/wat	1.891		Crippen Calculated Property
McVol	161.270	ml/mol	McGowan Calculated Property
Pc	3768.41	kPa	Joback Calculated Property
Inp	[1796.70; 1796.70]
Inp	1796.70		NIST
Inp	1796.70		NIST
Tboil	571.13	K	Relay (1.0) Calculated Property
Tfus	402.15	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[441.87; 503.15]	J/mol×K	[725.25; 954.55]
Cp,gas	441.87	J/mol×K	725.25	Joback Calculated Property
Cp,gas	453.01	J/mol×K	763.47	Joback Calculated Property
Cp,gas	463.65	J/mol×K	801.68	Joback Calculated Property
Cp,gas	473.88	J/mol×K	839.90	Joback Calculated Property
Cp,gas	483.81	J/mol×K	878.12	Joback Calculated Property
Cp,gas	493.53	J/mol×K	916.33	Joback Calculated Property
Cp,gas	503.15	J/mol×K	954.55	Joback Calculated Property
η	[0.0000013; 0.0000200]	Pa×s	[560.79; 725.25]
η	0.0000200	Pa×s	560.79	Joback Calculated Property
η	0.0000115	Pa×s	588.20	Joback Calculated Property
η	0.0000069	Pa×s	615.61	Joback Calculated Property
η	0.0000044	Pa×s	643.02	Joback Calculated Property
η	0.0000029	Pa×s	670.43	Joback Calculated Property
η	0.0000019	Pa×s	697.84	Joback Calculated Property
η	0.0000013	Pa×s	725.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 2,4-dihydroxy-3,6-dimethylbenzoate.

Sources

• Cheméo Relay (1.0)
• 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.