Chemical Properties of Iridomyrmecin (CAS 485-43-8)

Iridomyrmecin

InChI
InChI=1S/C10H16O2/c1-6-3-4-8-7(2)10(11)12-5-9(6)8/h6-9H,3-5H2,1-2H3/t6-,7-,8+,9+/m0/s1
InChI Key
LYEFRAMOOLOUKA-RBXMUDONSA-N
Formula
C10H16O2
SMILES
CC1CCC2C(C)C(=O)OCC12
Molecular Weight1
168.23
CAS
485-43-8
Other Names
  • Cyclopenta[c]pyran-3(1H)-one, hexahydro-4,7-dimethyl-, [4S-(4«alpha»,4a«beta»,7«beta»,7a«beta»)]-
  • Cyclopenta[c]pyran-3(1H)-one, hexahydro-4,7-dimethyl-
  • Cyclopenta[c]pyran-3(1H)-one, hexahydro-4,7-dimethyl-, (4«alpha»,4a«beta»,7«beta»,7a«beta»)-(-)-
  • Iridomirmecina
  • Iridomyrmexin
  • Isoiridomyrmecin
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Physical Properties

Property Value Unit Source
ΔfusH° 22.34 kJ/mol Joback Calculated Property
logPoct/wat 1.842 Crippen Calculated Property
McVol 137.480 ml/mol McGowan Calculated Property
Inp [1400.00; 1463.00]   Show Hide
Inp 1463.00 NIST
Inp 1400.00 NIST
Inp 1422.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [186.71; 517.92] 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 A-7.45200e+01
Coefficient B1.13824e+00
Coefficient C-7.08800e-04
Coefficient D1.63000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 186.71 J/mol×K 273.00 Calculated Property
Cp,gas 246.67 J/mol×K 353.78 Calculated Property
Cp,gas 299.64 J/mol×K 434.56 Calculated Property
Cp,gas 346.13 J/mol×K 515.33 Calculated Property
Cp,gas 386.65 J/mol×K 596.11 Calculated Property
Cp,gas 421.74 J/mol×K 676.89 Calculated Property
Cp,gas 451.89 J/mol×K 757.67 Calculated Property
Cp,gas 477.63 J/mol×K 838.44 Calculated Property
Cp,gas 499.47 J/mol×K 919.22 Calculated Property
Cp,gas 517.92 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0012946; 0.0007475] Pa×s [268.67; 488.32] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-7.87063e+00
Coefficient B3.28070e+02
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.268.67
Temperature range, max.488.32
η 0.0012946 Pa×s 268.67 Calculated Property
η 0.0011694 Pa×s 293.08 Calculated Property
η 0.0010730 Pa×s 317.48 Calculated Property
η 0.0009967 Pa×s 341.89 Calculated Property
η 0.0009350 Pa×s 366.29 Calculated Property
η 0.0008841 Pa×s 390.70 Calculated Property
η 0.0008415 Pa×s 415.10 Calculated Property
η 0.0008054 Pa×s 439.51 Calculated Property
η 0.0007744 Pa×s 463.92 Calculated Property
η 0.0007475 Pa×s 488.32 Calculated Property

Similar Compounds

Cyclopenta[c]pyran-1(3H)-one, hexahydro-4,7-dimethyl-, (4«alpha»,4a«alpha»,7«alpha»,7a«alpha»)-. Cyclopentaneacetic acid, 2-(hydroxymethyl)-3-methyl-, «delta»-lactone. 1,2-Cyclohexanedicarboxylic acid, bis(2-ethylhexyl) ester. 1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl isobutyl ester. 1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl hexyl ester. 1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl nonyl ester. 1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl tetradecyl ester. 1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl pentyl ester. 1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl decyl ester. 1,2-Cyclohexanedicarboxylic acid, butyl cyclohexylmethyl ester. 1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl dodecyl ester. 1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl undecyl ester. 1,2-Cyclohexanedicarboxylic acid, decyl 2-methylbutyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-methylbutyl octyl ester. 1,2-Cyclohexanedicarboxylic acid, hexadecyl 2-methylbutyl ester.

Find more compounds similar to Iridomyrmecin.

Sources

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