Chemical Properties of 6-Methoxythymol isobutyrate

InChI

InChI=1S/C15H22O3/c1-6-7-13(16)18-15-12(10(2)3)9-8-11(4)14(15)17-5/h8-10H,6-7H2,1-5H3

InChI Key

OVEFHMXINPFAGU-UHFFFAOYSA-N

Formula

C15H22O3

SMILES

CCCC(=O)Oc1c(C(C)C)ccc(C)c1OC

Molecular Weight¹

250.33

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	29.51	kJ/mol	Joback Calculated Property
logPoct/wat	3.833		Crippen Calculated Property
McVol	211.760	ml/mol	McGowan Calculated Property
Inp	[1671.00; 1671.00]
Inp	1671.00		NIST
Inp	1671.00		NIST
Tboil	557.45	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[567.77; 653.23]	J/mol×K	[664.62; 864.59]
Cp,gas	567.77	J/mol×K	664.62	Joback Calculated Property
Cp,gas	584.28	J/mol×K	697.95	Joback Calculated Property
Cp,gas	599.88	J/mol×K	731.28	Joback Calculated Property
Cp,gas	614.57	J/mol×K	764.60	Joback Calculated Property
Cp,gas	628.36	J/mol×K	797.93	Joback Calculated Property
Cp,gas	641.25	J/mol×K	831.26	Joback Calculated Property
Cp,gas	653.23	J/mol×K	864.59	Joback Calculated Property
η	[0.0000865; 0.0010990]	Pa×s	[372.35; 664.62]
η	0.0010990	Pa×s	372.35	Joback Calculated Property
η	0.0005631	Pa×s	421.06	Joback Calculated Property
η	0.0003315	Pa×s	469.77	Joback Calculated Property
η	0.0002155	Pa×s	518.49	Joback Calculated Property
η	0.0001509	Pa×s	567.20	Joback Calculated Property
η	0.0001118	Pa×s	615.91	Joback Calculated Property
η	0.0000865	Pa×s	664.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-Methoxythymol isobutyrate.

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

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.
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