Chemical Properties of (E)-Theaspirane

(E)-Theaspirane

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InChI
InChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3/t11-,13+/m1/s1
InChI Key
GYUZHTWCNKINPY-YPMHNXCESA-N
Formula
C13H22O
SMILES
CC1=CCCC(C)(C)C12CCC(C)O2
Molecular Weight1
194.31
Other Names
  • trans-theaspirane

Physical Properties

Property Value Unit Source
Δf 47.20 kJ/mol Joback Calculated Property
Δfgas -266.24 kJ/mol Joback Calculated Property
Δfus 14.58 kJ/mol Joback Calculated Property
Δvap 47.90 kJ/mol Joback Calculated Property
log10WS -3.98 Crippen Calculated Property
logPoct/wat 3.690 Crippen Calculated Property
McVol 173.880 ml/mol McGowan Calculated Property
Pc 2410.00 kPa Joback Calculated Property
Inp [1303.00; 1375.00]   Show Hide
Inp 1375.00 NIST
Inp 1303.00 NIST
Inp 1375.00 NIST
I [1491.00; 1543.00]   Show Hide
I 1543.00 NIST
I 1491.00 NIST
I 1498.00 NIST
I 1491.00 NIST
I 1498.00 NIST
I 1516.00 NIST
I 1516.00 NIST
I 1516.00 NIST
I 1543.00 NIST
I 1516.00 NIST
Tboil 554.30 K Joback Calculated Property
Tc 785.37 K Joback Calculated Property
Tfus 341.48 K Joback Calculated Property
Vc 0.647 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [451.24; 564.75] J/mol×K [554.30; 785.37] Show Hide
Cp,gas 451.24 J/mol×K 554.30 Joback Calculated Property
Cp,gas 473.01 J/mol×K 592.81 Joback Calculated Property
Cp,gas 493.29 J/mol×K 631.32 Joback Calculated Property
Cp,gas 512.34 J/mol×K 669.83 Joback Calculated Property
Cp,gas 530.43 J/mol×K 708.35 Joback Calculated Property
Cp,gas 547.81 J/mol×K 746.86 Joback Calculated Property
Cp,gas 564.75 J/mol×K 785.37 Joback Calculated Property

Similar Compounds

theaspirane. cis-theaspirane. «alpha»-agorofuran. 8-Hydroxytheaspirane. theaspirone. himachalene oxide. Vitispirane B. trans-Vitispirane. cis-Vitispirane. Vitispirane. Vitispirane A. 7,10-Epoxy-eremophila-1,11-diene. 4,7-Epoxi-spirovetiva-2,11-diene. 5,8-Epoxyamorpha-3,7(11)-diene. (+)-(1R,5S,6R,9R,10R)-5,9-Epoxyamorpha-3,7(11)-diene.

Find more compounds similar to (E)-Theaspirane.

Sources

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