Chemical Properties of sec-Butylmesitylene

InChI

InChI=1S/C13H20/c1-6-10(3)13-11(4)7-9(2)8-12(13)5/h7-8,10H,6H2,1-5H3

InChI Key

MBHVKXAUTWSICQ-UHFFFAOYSA-N

Formula

C13H20

SMILES

CCC(C)c1c(C)cc(C)cc1C

Molecular Weight¹

176.30

• 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).
• 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°	18.78	kJ/mol	Joback Calculated Property
logPoct/wat	4.125		Crippen Calculated Property
McVol	170.270	ml/mol	McGowan Calculated Property
Inp	[1258.00; 1258.00]
Inp	1258.00		NIST
Inp	1258.00		NIST
Tboil	501.86	K	Relay (1.0) Calculated Property
Tfus	263.75	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, Ionization energy, Log10 of Water solubility in mol/l 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	[231.34; 562.90]	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			-1.61900e+00
Coefficient B			9.87400e-01
Coefficient C			-5.16680e-04
Coefficient D			9.38000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	231.34	J/mol×K	273.00	Calculated Property
Cp,gas	287.19	J/mol×K	353.78	Calculated Property
Cp,gas	337.59	J/mol×K	434.56	Calculated Property
Cp,gas	382.84	J/mol×K	515.33	Calculated Property
Cp,gas	423.25	J/mol×K	596.11	Calculated Property
Cp,gas	459.10	J/mol×K	676.89	Calculated Property
Cp,gas	490.69	J/mol×K	757.67	Calculated Property
Cp,gas	518.33	J/mol×K	838.44	Calculated Property
Cp,gas	542.30	J/mol×K	919.22	Calculated Property
Cp,gas	562.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018315; 0.0001843]	Pa×s	[285.25; 519.71]	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			-1.13928e+01
Coefficient B			1.45198e+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.			285.25
Temperature range, max.			519.71
η	0.0018315	Pa×s	285.25	Calculated Property
η	0.0011963	Pa×s	311.30	Calculated Property
η	0.0008345	Pa×s	337.35	Calculated Property
η	0.0006129	Pa×s	363.40	Calculated Property
η	0.0004692	Pa×s	389.45	Calculated Property
η	0.0003714	Pa×s	415.50	Calculated Property
η	0.0003022	Pa×s	441.55	Calculated Property
η	0.0002516	Pa×s	467.60	Calculated Property
η	0.0002136	Pa×s	493.66	Calculated Property
η	0.0001843	Pa×s	519.71	Calculated Property

Similar Compounds

Find more compounds similar to sec-Butylmesitylene.

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

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