Chemical Properties of Cyclohexanecarboxylic acid, 1-[3-(2-chloroethyl)-3-nitrosoureido]-, ethyl ester (CAS 13991-74-7)

Cyclohexanecarboxylic acid, 1-[3-(2-chloroethyl)-3-nitrosoureido]-, ethyl ester

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InChI
InChI=1S/C12H20ClN3O4/c1-2-20-10(17)12(6-4-3-5-7-12)14-11(18)16(15-19)9-8-13/h2-9H2,1H3,(H,14,18)
InChI Key
FPIQZBQZKBKLEI-UHFFFAOYSA-N
Formula
C12H20ClN3O4
SMILES
CCOC(=O)C1(NC(=O)N(CCCl)N=O)CCCCC1
Molecular Weight1
305.76
CAS
13991-74-7
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Physical Properties

Property Value Unit Source
ΔfH°gas -641.76 kJ/mol Joback Calculated Property
ΔvapH° 79.45 kJ/mol Joback Calculated Property
log10WS -3.56 Crippen Calculated Property
logPoct/wat 2.184 Crippen Calculated Property
McVol 221.840 ml/mol McGowan Calculated Property
Pc 2367.97 kPa Joback Calculated Property
Tboil 787.35 K Joback Calculated Property
Tc 998.44 K Joback Calculated Property

Similar Compounds

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