Chemical Properties of Ethyl hematommate (CAS 39503-14-5)

Ethyl hematommate

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InChI
InChI=1S/C11H12O5/c1-3-16-11(15)9-6(2)4-8(13)7(5-12)10(9)14/h4-5,13-14H,3H2,1-2H3
InChI Key
HUXJGSHUVDWZAM-UHFFFAOYSA-N
Formula
C11H12O5
SMILES
CCOC(=O)c1c(C)cc(O)c(C=O)c1O
Molecular Weight1
224.21
CAS
39503-14-5
Sources

Physical Properties

Property Value Unit Source
Δf -507.79 kJ/mol Joback Calculated Property
Δfgas -741.78 kJ/mol Joback Calculated Property
Δfus 34.15 kJ/mol Joback Calculated Property
Δvap 85.58 kJ/mol Joback Calculated Property
logPoct/wat 1.395 Crippen Calculated Property
Pc 4135.61 kPa Joback Calculated Property
Tboil 773.91 K Joback Calculated Property
Tc 1004.32 K Joback Calculated Property
Tfus 602.79 K Joback Calculated Property
Vc 0.516 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 450.83 J/mol×K 773.91 Joback Calculated Property
η 0.0000010 Pa×s 773.91 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 1
=C< (ring) 5
-CH2- 1
O=CH- (aldehyde) 1
-CH3 2
-OH (phenol) 2

Similar Compounds

Isopropyl 3-formyl-2,4-dihydroxy-6-methylbenzoate. ethyl 2,4-dihydroxy-3,6-dimethylbenzoate. Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, methyl ester. Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester. Ethyl 2,4-dihydroxy-6-methylbenzoate. Propyl 2,4-dihydroxy-6-methylbenzoate. Benzoic acid, 4-hydroxy-2-methoxy-3,6-dimethyl-, methyl ester. Ethyl 3-chloro-5-formyl-4,6-dihydroxy-2-methylbenzoate. ethyl 4-methoxy-6-methylsalicylate. Isopropyl 3-chloro-5-formyl-4,6-dihydroxy-2-methylbenzoate. Benzoic acid, 2,4-dihydroxy-6-methyl-, methyl ester. Ethyl chloroatrarate. Propyl 2-hydroxy-4-methoxy-6-methylbenzoate. Butyl everninate. Benzene-1,2,4-tricarboxylic acid, 3-hydroxy, trimethyl ester.

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