Chemical Properties of dl-tropic acid

InChI

InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)

InChI Key

JACRWUWPXAESPB-UHFFFAOYSA-N

Formula

C9H10O3

SMILES

O=C(O)C(CO)c1ccccc1

Molecular Weight¹

166.18

• 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).
• 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).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[164.96; 395.11]	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			-3.09890e+01
Coefficient B			8.70600e-01
Coefficient C			-6.03200e-04
Coefficient D			1.58700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	164.96	J/mol×K	273.00	Calculated Property
Cp,gas	208.54	J/mol×K	353.78	Calculated Property
Cp,gas	246.45	J/mol×K	434.56	Calculated Property
Cp,gas	279.19	J/mol×K	515.33	Calculated Property
Cp,gas	307.26	J/mol×K	596.11	Calculated Property
Cp,gas	331.16	J/mol×K	676.89	Calculated Property
Cp,gas	351.39	J/mol×K	757.67	Calculated Property
Cp,gas	368.46	J/mol×K	838.44	Calculated Property
Cp,gas	382.86	J/mol×K	919.22	Calculated Property
Cp,gas	395.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014067; 0.0000909]	Pa×s	[424.03; 616.74]	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			-1.53340e+01
Coefficient B			3.71765e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			424.03
Temperature range, max.			616.74
η	0.0014067	Pa×s	424.03	Calculated Property
η	0.0009229	Pa×s	445.44	Calculated Property
η	0.0006294	Pa×s	466.85	Calculated Property
η	0.0004439	Pa×s	488.27	Calculated Property
η	0.0003224	Pa×s	509.68	Calculated Property
η	0.0002402	Pa×s	531.09	Calculated Property
η	0.0001832	Pa×s	552.50	Calculated Property
η	0.0001425	Pa×s	573.91	Calculated Property
η	0.0001129	Pa×s	595.33	Calculated Property
η	0.0000909	Pa×s	616.74	Calculated Property

Similar Compounds

Find more compounds similar to dl-tropic acid.

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
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method

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