Chemical Properties of Tatarinoid B (CAS 1229005-36-0)

Tatarinoid B

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C12H16O5/c1-7(13)12(14)8-5-10(16-3)11(17-4)6-9(8)15-2/h5-6,12,14H,1-4H3
InChI Key
LVZSTCWLAWIFNV-UHFFFAOYSA-N
Formula
C12H16O5
SMILES
COc1cc(OC)c(C(O)C(C)=O)cc1OC
Molecular Weight1
240.25
CAS
1229005-36-0
Sources

Physical Properties

Property Value Unit Source
Δf -449.50 kJ/mol Joback Calculated Property
Δfgas -755.64 kJ/mol Joback Calculated Property
Δfus 25.44 kJ/mol Joback Calculated Property
Δvap 76.84 kJ/mol Joback Calculated Property
logPoct/wat 1.33 Crippen Calculated Property
Pc 2571.50 kPa Joback Calculated Property
Tboil 728.45 K Joback Calculated Property
Tc 925.99 K Joback Calculated Property
Tfus 451.42 K Joback Calculated Property
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 498.35 J/mol×K 728.45 Joback Calculated Property
η 0.00 Pa×s 728.45 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 3
>C=O (nonring) 1
=CH- (ring) 2
-OH (alcohol) 1
=C< (ring) 4
-CH3 4

Similar Compounds

1-(2,4,5-Trimethoxyphenyl)propan-2-one. Benzeneethanamine,2,4,5-trimethoxy-«alpha»-methyl-(.+/-.)-. Phenethylamine, 2,4,5-trimethoxy-«alpha»-methyl-. Benzyl alcohol, alpha-(1-aminoethyl)-2,5-dimethoxy-. 4-Methoxy-2-(3-methyloxiranyl)-phenyl isobutyrate. 4,5-METHYLENEDIOXYAMPHETAMINE, 2-METHOXY-. 2,3,4-Trimethoxyphenylacetic acid. 1-(2,4,5-Trimethoxyphenyl)propan-1-one. Mandelic acid, 3,4-dimethoxy-, methyl ester. 2-Propanone, (2,5-dimethoxy)phenyl-. .gamma.-Asarone. 1-(2,4,5-Trimethoxyphenyl)butan-1-one. Methyl (3,4-dimethoxyphenyl)(methoxy)acetate. Butanoic acid, 2-methyl-, 4-methoxy-2-(3-methyloxiranyl)phenyl ester. 4-Methoxy-2-(3-methyloxiranyl)-phenyl angelate.

Find more compounds similar to Tatarinoid B.

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.