Chemical Properties of «beta»-Isocyclolavandulyl propionate

«beta»-Isocyclolavandulyl propionate

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InChI
InChI=1S/C13H22O2/c1-5-12(14)15-9-11-6-7-13(3,4)8-10(11)2/h6,10H,5,7-9H2,1-4H3/t10-/m0/s1
InChI Key
XOZBCNJUNGIXPL-JTQLQIEISA-N
Formula
C13H22O2
SMILES
CCC(=O)OCC1=CCC(C)(C)CC1C
Molecular Weight1
210.31
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Physical Properties

Property Value Unit Source
Δf -143.76 kJ/mol Joback Calculated Property
Δfgas -460.92 kJ/mol Joback Calculated Property
Δfus 19.65 kJ/mol Joback Calculated Property
Δvap 53.61 kJ/mol Joback Calculated Property
log10WS -3.39 Crippen Calculated Property
logPoct/wat 3.322 Crippen Calculated Property
McVol 186.310 ml/mol McGowan Calculated Property
Pc 2100.34 kPa Joback Calculated Property
Inp [1374.00; 1374.00]   Show Hide
Inp 1374.00 NIST
Inp 1374.00 NIST
I [1694.00; 1694.00]   Show Hide
I 1694.00 NIST
I 1694.00 NIST
Tboil 592.39 K Joback Calculated Property
Tc 799.01 K Joback Calculated Property
Tfus 348.75 K Joback Calculated Property
Vc 0.704 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [485.49; 584.35] J/mol×K [592.39; 799.01] Show Hide
Cp,gas 485.49 J/mol×K 592.39 Joback Calculated Property
Cp,gas 504.04 J/mol×K 626.83 Joback Calculated Property
Cp,gas 521.65 J/mol×K 661.26 Joback Calculated Property
Cp,gas 538.40 J/mol×K 695.70 Joback Calculated Property
Cp,gas 554.38 J/mol×K 730.14 Joback Calculated Property
Cp,gas 569.67 J/mol×K 764.58 Joback Calculated Property
Cp,gas 584.35 J/mol×K 799.01 Joback Calculated Property

Similar Compounds

«beta»-Isocyclolavandulyl isobutyrate. «beta»-Isocyclolavandulyl isovalerate. «beta»-Isocyclolavandulyl acetate. (-)-15-Acetoxygymnomitr-3-ene. myrtenyl 3-methylbutanoate. Glutaric acid, di(myrtenyl) ester. 2-pinen-10-yl isobutyrate. Myrtenyl hexanoate. Myrtenyl caprate. Myrtenyl laureate. Glutaric acid, myrtenyl 3-methylbut-2-en-1-yl ester. Myrtenyl 3-methylvalerate. Myrtenyl acetate. Myrtenyl 2-methyl butyrate. Glutaric acid, myrtenyl cyclohexylmethyl ester.

Find more compounds similar to «beta»-Isocyclolavandulyl propionate.

Sources

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