Chemical Properties of 6-Methoxythymyl 2-methylbutyrate

InChI

InChI=1S/C16H24O3/c1-7-11(4)16(17)19-15-8-12(5)14(18-6)9-13(15)10(2)3/h8-11H,7H2,1-6H3

InChI Key

RJUMKACVUPSSJD-UHFFFAOYSA-N

Formula

C16H24O3

SMILES

CCC(C)C(=O)Oc1cc(C)c(OC)cc1C(C)C

Molecular Weight¹

264.36

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	28.58	kJ/mol	Joback Calculated Property
logPoct/wat	4.079		Crippen Calculated Property
McVol	225.850	ml/mol	McGowan Calculated Property
Inp	[1764.50; 1764.50]
Inp	1764.50		NIST
Inp	1764.50		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[326.41; 744.82]	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			4.48810e+01
Coefficient B			1.16032e+00
Coefficient C			-4.77480e-04
Coefficient D			1.71000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	326.41	J/mol×K	273.00	Calculated Property
Cp,gas	396.37	J/mol×K	353.78	Calculated Property
Cp,gas	460.34	J/mol×K	434.56	Calculated Property
Cp,gas	518.37	J/mol×K	515.33	Calculated Property
Cp,gas	570.51	J/mol×K	596.11	Calculated Property
Cp,gas	616.82	J/mol×K	676.89	Calculated Property
Cp,gas	657.35	J/mol×K	757.67	Calculated Property
Cp,gas	692.16	J/mol×K	838.44	Calculated Property
Cp,gas	721.30	J/mol×K	919.22	Calculated Property
Cp,gas	744.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012616; 0.0001013]	Pa×s	[368.62; 621.64]	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			-1.28717e+01
Coefficient B			2.28409e+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.			368.62
Temperature range, max.			621.64
η	0.0012616	Pa×s	368.62	Calculated Property
η	0.0008133	Pa×s	396.73	Calculated Property
η	0.0005556	Pa×s	424.85	Calculated Property
η	0.0003980	Pa×s	452.96	Calculated Property
η	0.0002964	Pa×s	481.07	Calculated Property
η	0.0002281	Pa×s	509.19	Calculated Property
η	0.0001803	Pa×s	537.30	Calculated Property
η	0.0001460	Pa×s	565.41	Calculated Property
η	0.0001206	Pa×s	593.53	Calculated Property
η	0.0001013	Pa×s	621.64	Calculated Property

Similar Compounds

Find more compounds similar to 6-Methoxythymyl 2-methylbutyrate.

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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