Chemical Properties of iso-isopulegol acetate (CAS 109010-11-9)

iso-isopulegol acetate

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InChI
InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,12H,5-7H2,1-4H3/t9-,12+/m0/s1
InChI Key
ZAPTZQHAWAYFSW-JOYOIKCWSA-N
Formula
C12H20O2
SMILES
CC(=O)OC1CC(C)CCC1=C(C)C
Molecular Weight1
196.29
CAS
109010-11-9
Other Names
  • iso-Isopulegyl acetate
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Physical Properties

Property Value Unit Source
Δf -130.11 kJ/mol Joback Calculated Property
Δfgas -435.59 kJ/mol Joback Calculated Property
Δfus 21.54 kJ/mol Joback Calculated Property
Δvap 52.45 kJ/mol Joback Calculated Property
log10WS -3.33 Crippen Calculated Property
logPoct/wat 3.075 Crippen Calculated Property
McVol 172.220 ml/mol McGowan Calculated Property
Pc 2229.20 kPa Joback Calculated Property
Inp [1271.00; 1283.00]   Show Hide
Inp 1281.00 NIST
Inp 1283.00 NIST
Inp 1271.00 NIST
Inp 1281.00 NIST
Tboil 571.65 K Joback Calculated Property
Tc 780.75 K Joback Calculated Property
Tfus 296.70 K Joback Calculated Property
Vc 0.647 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [436.34; 535.03] J/mol×K [571.65; 780.75] Show Hide
Cp,gas 436.34 J/mol×K 571.65 Joback Calculated Property
Cp,gas 455.18 J/mol×K 606.50 Joback Calculated Property
Cp,gas 473.04 J/mol×K 641.35 Joback Calculated Property
Cp,gas 489.95 J/mol×K 676.20 Joback Calculated Property
Cp,gas 505.91 J/mol×K 711.05 Joback Calculated Property
Cp,gas 520.93 J/mol×K 745.90 Joback Calculated Property
Cp,gas 535.03 J/mol×K 780.75 Joback Calculated Property

Similar Compounds

neo-Isopulegyl acetate. Pulegol acetate. Neopulegyl acetate. (6R,7aS)-3,6-Dimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one. 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-. (6R,7aR)-3,6-Dimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one. trans-Menthone lactone. p-mentha-1(7),8-dien-2-yl acetate. trans-p-Mentha-1(7),8-dien-2-yl ac.. trans-piperitol acetate. 6-(isopropyl)-3-methylcyclohex-2-en-1-yl acetate. cis-Piperitol, acetate. 3Beta,17beta-diacetoxyandrost-5-ene. (-)-(1R,3R,6S,10S)-3«alpha»-Acetoxyamorpha-4,7(11)-diene. 8(14)-Stigmastenol acetate, 24-«beta».

Find more compounds similar to iso-isopulegol acetate.

Sources

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