Chemical Properties of Cyclohexanemalonic acid, 5-hydroxy-2-(1-hydroxyethyl)-4,4-dimethyl-alpha-[1-(dimethylamino)prop-2-yl]-gamma,delta-dilactone

Cyclohexanemalonic acid, 5-hydroxy-2-(1-hydroxyethyl)-4,4-dimethyl-alpha-[1-(dimethylamino)prop-2-yl]-gamma,delta-dilactone

InChI
InChI=1S/C18H29NO4/c1-11(10-19(5)6)18-13-9-17(4,23-15(18)21)8-7-12(13)16(2,3)22-14(18)20/h11-13H,7-10H2,1-6H3
InChI Key
SSOFRYHMIDPVCV-UHFFFAOYSA-N
Formula
C18H29NO4
SMILES
CC(CN(C)C)C12C(=O)OC3(C)CCC(C1C3)C(C)(C)OC2=O
Molecular Weight1
323.43
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Physical Properties

Property Value Unit Source
ω 0.5692 Relay (1.0) Calculated Property
ΔfG° -94.34 kJ/mol Joback Calculated Property
ΔfH°gas -759.02 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 28.20 kJ/mol Joback Calculated Property
ΔvapH° 89.90 kJ/mol Relay (1.0) Calculated Property
IE 7.98 eV Relay (1.0) Calculated Property
log10WS -2.90 Relay (1.0) Calculated Property
logPoct/wat 2.238 Crippen Calculated Property
McVol 256.760 ml/mol McGowan Calculated Property
Pc 1804.63 kPa Joback Calculated Property
Tboil 604.89 K Relay (1.0) Calculated Property
Tc 871.77 K Relay (1.0) Calculated Property
Tfus 403.15 K Relay (1.0) Calculated Property
Vc 0.959 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [892.50; 1066.75] J/mol×K [837.19; 1079.02] Show Hide
Cp,gas 892.50 J/mol×K 837.19 Joback Calculated Property
Cp,gas 918.71 J/mol×K 877.49 Joback Calculated Property
Cp,gas 945.51 J/mol×K 917.80 Joback Calculated Property
Cp,gas 973.31 J/mol×K 958.10 Joback Calculated Property
Cp,gas 1002.50 J/mol×K 998.41 Joback Calculated Property
Cp,gas 1033.52 J/mol×K 1038.71 Joback Calculated Property
Cp,gas 1066.75 J/mol×K 1079.02 Joback Calculated Property

Similar Compounds

4,6-Ethano-1h,8h-pyrano[3,4-c]pyran-1,8-dione, hexahydro-3,3,6-trimethyl-8a-[2-(dimethylamino)ethyl]-. Malonic dilactone, alpha-[2-(diethylamino)ethyl]-cis-1(me),3(h),4(h)-cis-3(h)-1,8-dihydroxy-3-p-menthyl. Malonic dilactone, alpha-[2-(morpholino)ethyl]-cis-1(me),3(h),4(h)-cis-3(h)-1,8-dihydroxy-3-p-menthyl. Renardine. O-Crotaverrine. Neosenkirkine. Crosemperine ethyl analogue. Otosenine. «beta»-tiglyl-trachelanthamine, TMS. Crosemperine stereoisomer. «beta»-angelyl-trachelanthamine, TMS. trachelanthamine. 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, ethyl ester, [1R-(exo,exo)]-. O-Acetylcrotavernine. Floridanine (otonecine-acetyljacoline).

Find more compounds similar to Cyclohexanemalonic acid, 5-hydroxy-2-(1-hydroxyethyl)-4,4-dimethyl-alpha-[1-(dimethylamino)prop-2-yl]-gamma,delta-dilactone.

Sources

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