Chemical Properties of Pseudoisoeugenyl-2-methyl butyrate

InChI

InChI=1S/C14H18O3/c1-5-6-11-7-8-12(13(9-11)16-4)17-14(15)10(2)3/h5-10H,1-4H3/b6-5+

InChI Key

HEOQGBRLGAJSLZ-AATRIKPKSA-N

Formula

C14H18O3

SMILES

CC=Cc1ccc(OC(=O)C(C)C)c(OC)c1

Molecular Weight¹

234.29

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : 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°	25.93	kJ/mol	Joback Calculated Property
log10WS	-3.55		Relay (1.0) Calculated Property
logPoct/wat	3.290		Crippen Calculated Property
McVol	193.370	ml/mol	McGowan Calculated Property
Inp	[1792.00; 1795.00]
Inp	1792.00		NIST
Inp	1792.00		NIST
Inp	1795.00		NIST
I	[2567.00; 2567.00]
I	2567.00		NIST
I	2567.00		NIST
Tboil	559.03	K	Relay (1.0) Calculated Property
Tfus	345.08	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 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	[499.19; 578.83]	J/mol×K	[658.79; 870.40]
Cp,gas	499.19	J/mol×K	658.79	Joback Calculated Property
Cp,gas	514.63	J/mol×K	694.06	Joback Calculated Property
Cp,gas	529.19	J/mol×K	729.33	Joback Calculated Property
Cp,gas	542.87	J/mol×K	764.60	Joback Calculated Property
Cp,gas	555.70	J/mol×K	799.87	Joback Calculated Property
Cp,gas	567.68	J/mol×K	835.13	Joback Calculated Property
Cp,gas	578.83	J/mol×K	870.40	Joback Calculated Property
η	[0.0000935; 0.0010266]	Pa×s	[373.31; 658.79]
η	0.0010266	Pa×s	373.31	Joback Calculated Property
η	0.0005495	Pa×s	420.89	Joback Calculated Property
η	0.0003339	Pa×s	468.47	Joback Calculated Property
η	0.0002225	Pa×s	516.05	Joback Calculated Property
η	0.0001587	Pa×s	563.63	Joback Calculated Property
η	0.0001193	Pa×s	611.21	Joback Calculated Property
η	0.0000935	Pa×s	658.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pseudoisoeugenyl-2-methyl butyrate.

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.