Chemical Properties of PROPOXYCAINE

PROPOXYCAINE

InChI
InChI=1S/C16H26N2O3/c1-4-10-20-15-12-13(17)7-8-14(15)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3
InChI Key
CAJIGINSTLKQMM-UHFFFAOYSA-N
Formula
C16H26N2O3
SMILES
CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC
Molecular Weight1
294.39
Other Names
  • 4-Amino-2-propoxybenzoic acid, 2-(diethylamino)ethyl ester
  • Blockain
  • 2-Diethylaminoethyl 4-amino-2-propoxybenzoate
  • 2-Diethylaminoethyl 4-amino-2-propoxybenzoic acid ester
  • 2'-Diethylaminoethyl 2-propoxy-4-aminobenzoate
  • Pravocaine
  • Ranocaine
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Physical Properties

Property Value Unit Source
ΔfH°gas -552.94 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 44.23 kJ/mol Joback Calculated Property
ΔvapH° 89.78 kJ/mol Relay (1.0) Calculated Property
log10WS -3.00 Relay (1.0) Calculated Property
logPoct/wat 2.556 Crippen Calculated Property
McVol 245.810 ml/mol McGowan Calculated Property
Pc 1721.73 kPa Joback Calculated Property
Tboil 652.66 K Relay (1.0) Calculated Property
Tfus 289.88 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [360.37; 820.79] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A2.97460e+01
Coefficient B1.39376e+00
Coefficient C-6.94120e-04
Coefficient D9.14000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 360.37 J/mol×K 273.00 Calculated Property
Cp,gas 440.00 J/mol×K 353.78 Calculated Property
Cp,gas 511.84 J/mol×K 434.56 Calculated Property
Cp,gas 576.17 J/mol×K 515.33 Calculated Property
Cp,gas 633.29 J/mol×K 596.11 Calculated Property
Cp,gas 683.48 J/mol×K 676.89 Calculated Property
Cp,gas 727.04 J/mol×K 757.67 Calculated Property
Cp,gas 764.25 J/mol×K 838.44 Calculated Property
Cp,gas 795.40 J/mol×K 919.22 Calculated Property
Cp,gas 820.79 J/mol×K 1000.00 Calculated Property

Similar Compounds

Metabutoxycaine. Benzoic acid, 4-amino-3-butoxy-, 2-(diethylamino)ethyl ester. Benzoic acid, 3-amino-4-propoxy-, 2-(diethylamino)ethyl ester. Shinflavanone. Cisapride. Carteolol, PFB-TMS. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. Noscapine. Tazettine. Butorphanol di-TMS derivative. Hydrastine. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. [6-[6-[[4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate. Zinc octaethylporphyrin chloride. 5,6-Dihydrouracil riboside, TMS.

Find more compounds similar to PROPOXYCAINE.

Sources

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