Chemical Properties of (E)-trans-«alpha»-bergamota-2,10-dien-12-al

(E)-trans-«alpha»-bergamota-2,10-dien-12-al

InChI
InChI=1S/C15H22O/c1-11(10-16)5-4-8-15(3)13-7-6-12(2)14(15)9-13/h5-6,10,13-14H,4,7-9H2,1-3H3/b11-5+/t13-,14-,15+/m1/s1
InChI Key
QWQJWQIDOZWIKY-AKZWGNFOSA-N
Formula
C15H22O
SMILES
CC(C=O)=CCCC1(C)C2CC=C(C)C1C2
Molecular Weight1
218.33
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Physical Properties

Property Value Unit Source
ω 0.4141 Relay (1.0) Calculated Property
ΔfG° 164.10 kJ/mol Joback Calculated Property
ΔfH°gas -113.47 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 25.56 kJ/mol Joback Calculated Property
ΔvapH° 73.74 kJ/mol Relay (1.0) Calculated Property
IE 8.53 eV Relay (1.0) Calculated Property
log10WS -4.30 Relay (1.0) Calculated Property
logPoct/wat 3.904 Crippen Calculated Property
McVol 193.460 ml/mol McGowan Calculated Property
Pc 2049.31 kPa Joback Calculated Property
Inp 1675.00 NIST
Tboil 560.27 K Relay (1.0) Calculated Property
Tc 821.88 K Relay (1.0) Calculated Property
Tfus 279.18 K Relay (1.0) Calculated Property
Vc 0.646 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [523.36; 620.58] J/mol×K [612.76; 822.99] Show Hide
Cp,gas 523.36 J/mol×K 612.76 Joback Calculated Property
Cp,gas 541.68 J/mol×K 647.80 Joback Calculated Property
Cp,gas 558.94 J/mol×K 682.84 Joback Calculated Property
Cp,gas 575.30 J/mol×K 717.88 Joback Calculated Property
Cp,gas 590.91 J/mol×K 752.91 Joback Calculated Property
Cp,gas 605.95 J/mol×K 787.95 Joback Calculated Property
Cp,gas 620.58 J/mol×K 822.99 Joback Calculated Property

Similar Compounds

cis-«alpha»-Bergamotene. «alpha»-trans-«beta»-Bergamotene. Bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-. 2-Norpinene, 2,6-dimethyl-6-(4-methyl-3-pentenyl). trans-«alpha»-Bergamotene. cis-«alpha»-Bergamotene. Bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-. Bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-, (1S)-. (1R)-(-)-Myrtenal. Ylangenal. (1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene. «alpha»-Pinene. (1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene. 2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-butenal. «beta»-Betulenal.

Find more compounds similar to (E)-trans-«alpha»-bergamota-2,10-dien-12-al.

Sources

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