Chemical Properties of trans-1-Carbethoxy-2-phenylcyclopropane (CAS 946-39-4)

trans-1-Carbethoxy-2-phenylcyclopropane

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InChI
InChI=1S/C12H14O2/c1-2-14-12(13)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3/t10-,11+/m0/s1
InChI Key
SRGUIJLJERBBCM-WDEREUQCSA-N
Formula
C12H14O2
SMILES
CCOC(=O)C1CC1c1ccccc1
Molecular Weight1
190.24
CAS
946-39-4
Other Names
  • 1R,2R)-rel-2-Phenylcyclopropanecarboxylic acid ethyl ester
  • Cyclopropanecarboxylic acid, 2-phenyl-, ethyl ester, (1R,2R)-rel-
  • Cyclopropanecarboxylic acid, 2-phenyl-, ethyl ester, trans-
  • Ethyl trans-2-phenylcyclopropanecarboxylate
  • trans-2-Phenylcyclopropanecarboxylic acid ethyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -18.31 kJ/mol Joback Calculated Property
Δfgas -246.82 kJ/mol Joback Calculated Property
Δfus 22.87 kJ/mol Joback Calculated Property
Δsub 96.90 ± 0.40 kJ/mol NIST
Δvap 53.34 kJ/mol Joback Calculated Property
logPoct/wat 2.35 Crippen Calculated Property
Pc 2781.78 kPa Joback Calculated Property
Tboil 579.00 K Joback Calculated Property
Tc 799.97 K Joback Calculated Property
Tfus 337.28 K Joback Calculated Property
Vc 0.58 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 381.25 J/mol×K 579.0 Joback Calculated Property
η 0.00 Pa×s 579.0 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Cyclopropanecarboxylic acid, trans-2-phenyl-, butyl ester. Cyclopropanecarboxylic acid, trans-2-phenyl-, isobutyl ester. Cyclopropanecarboxylic acid, trans-2-phenyl-, isopropyl ester. Cyclopropanecarboxylic acid, trans-2-phenyl-, pentyl ester. Cyclopropanecarboxylic acid, trans-2-phenyl-, hexyl ester. Cyclopropanecarboxylic acid, trans-2-phenyl-, tetradecyl ester. Cyclopropanecarboxylic acid, trans-2-phenyl-, tridecyl ester. Cyclopropanecarboxylic acid, trans-2-phenyl-, heptadecyl ester. Cyclopropanecarboxylic acid, trans-2-phenyl-, octyl ester. Cyclopropanecarboxylic acid, trans-2-phenyl-, pentadecyl ester. Cyclopropanecarboxylic acid, trans-2-phenyl-, nonyl ester. Cyclopropanecarboxylic acid, trans-2-phenyl-, decyl ester. Cyclopropanecarboxylic acid, trans-2-phenyl-, undecyl ester. Cyclopropanecarboxylic acid, trans-2-phenyl-, dodecyl ester. Cyclopropanecarboxylic acid, trans-2-phenyl-, octadecyl ester.

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