Chemical Properties of Metabutoxycaine (CAS 3624-87-1)

Metabutoxycaine

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InChI
InChI=1S/C17H28N2O3/c1-4-7-12-21-16-14(9-8-10-15(16)18)17(20)22-13-11-19(5-2)6-3/h8-10H,4-7,11-13,18H2,1-3H3
InChI Key
LJQWYEFHNLTPBZ-UHFFFAOYSA-N
Formula
C17H28N2O3
SMILES
CCCCOc1c(N)cccc1C(=O)OCCN(CC)CC
Molecular Weight1
308.42
CAS
3624-87-1
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Physical Properties

Property Value Unit Source
Δf 23.72 kJ/mol Joback Calculated Property
Δfgas -456.32 kJ/mol Joback Calculated Property
Δfus 45.24 kJ/mol Joback Calculated Property
Δvap 81.29 kJ/mol Joback Calculated Property
log10WS -3.39 Crippen Calculated Property
logPoct/wat 2.946 Crippen Calculated Property
McVol 259.900 ml/mol McGowan Calculated Property
Pc 1645.76 kPa Joback Calculated Property
Inp [2226.00; 2226.00]   Show Hide
Inp 2226.00 NIST
Inp 2226.00 NIST
Tboil 808.68 K Joback Calculated Property
Tc 1010.19 K Joback Calculated Property
Tfus 542.93 K Joback Calculated Property
Vc 0.969 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [795.30; 874.95] J/mol×K [808.68; 1010.19] Show Hide
Cp,gas 795.30 J/mol×K 808.68 Joback Calculated Property
Cp,gas 811.15 J/mol×K 842.26 Joback Calculated Property
Cp,gas 825.94 J/mol×K 875.85 Joback Calculated Property
Cp,gas 839.69 J/mol×K 909.43 Joback Calculated Property
Cp,gas 852.43 J/mol×K 943.02 Joback Calculated Property
Cp,gas 864.18 J/mol×K 976.60 Joback Calculated Property
Cp,gas 874.95 J/mol×K 1010.19 Joback Calculated Property

Similar Compounds

Benzoic acid, 4-amino-3-butoxy-, 2-(diethylamino)ethyl ester. Benzoic acid, 4-amino-2-propoxy-, 2-(diethylamino)ethyl ester. Benzoic acid, 3-amino-4-propoxy-, 2-(diethylamino)ethyl ester. Zinc octaethylporphyrin chloride. Tazettine. 5,6-Dihydrouracil riboside, TMS. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. Aconitine. 3-propionyl-morphine. TCN. QUINIDINE, M(HO-), AC. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. Ethylmorphine, trimethylsilyl ether.

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Sources

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