Chemical Properties of Benzenebutanoic acid, 2,5-dimethyl- (CAS 1453-06-1)

InChI

InChI=1S/C12H16O2/c1-9-6-7-10(2)11(8-9)4-3-5-12(13)14/h6-8H,3-5H2,1-2H3,(H,13,14)

InChI Key

XNTQOUBHYSKYOI-UHFFFAOYSA-N

Formula

C12H16O2

SMILES

Cc1ccc(C)c(CCCC(=O)O)c1

Molecular Weight¹

192.25

CAS

1453-06-1

Other Names

• Butyric acid, 4-(2,5-xylyl)-
• «gamma»-(2,5-Dimethylphenyl)-n-butyric acid
• 4-(2,5-Xylyl)butanoic acid

• ω : Acentric Factor.
• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[221.51; 524.59]	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			-8.72700e+00
Coefficient B			9.96740e-01
Coefficient C			-5.98720e-04
Coefficient D			1.35300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	221.51	J/mol×K	273.00	Calculated Property
Cp,gas	274.95	J/mol×K	353.78	Calculated Property
Cp,gas	322.45	J/mol×K	434.56	Calculated Property
Cp,gas	364.44	J/mol×K	515.33	Calculated Property
Cp,gas	401.35	J/mol×K	596.11	Calculated Property
Cp,gas	433.60	J/mol×K	676.89	Calculated Property
Cp,gas	461.62	J/mol×K	757.67	Calculated Property
Cp,gas	485.84	J/mol×K	838.44	Calculated Property
Cp,gas	506.69	J/mol×K	919.22	Calculated Property
Cp,gas	524.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008855; 0.0002216]	Pa×s	[437.06; 609.46]	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			-1.19262e+01
Coefficient B			2.14020e+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.			437.06
Temperature range, max.			609.46
η	0.0008855	Pa×s	437.06	Calculated Property
η	0.0007209	Pa×s	456.22	Calculated Property
η	0.0005968	Pa×s	475.37	Calculated Property
η	0.0005013	Pa×s	494.53	Calculated Property
η	0.0004265	Pa×s	513.68	Calculated Property
η	0.0003672	Pa×s	532.84	Calculated Property
η	0.0003194	Pa×s	552.00	Calculated Property
η	0.0002805	Pa×s	571.15	Calculated Property
η	0.0002484	Pa×s	590.31	Calculated Property
η	0.0002216	Pa×s	609.46	Calculated Property

Similar Compounds

Find more compounds similar to Benzenebutanoic acid, 2,5-dimethyl-.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.