Chemical Properties of (E)-Isovalencenol (CAS 22387-74-2)

(E)-Isovalencenol

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C15H24O/c1-11(10-16)13-7-8-14-6-4-5-12(2)15(14,3)9-13/h6,12,16H,4-5,7-10H2,1-3H3/b13-11-/t12-,15+/m0/s1
InChI Key
FXWSXJNUPFBCMQ-NVXNZCMISA-N
Formula
C15H24O
SMILES
CC(CO)=C1CCC2=CCCC(C)C2(C)C1
Molecular Weight1
220.35
CAS
22387-74-2
Other Names
  • (+)-Isovalencenol
  • (E)-Eremophila-1(10),7(11)-dien-12-ol
  • (E)-Isovalencenol
  • 1-Propanol, 2-(3,4,6,7,8,8a-hexahydro-8,8a-dimethyl-2(1H)-naphthalenylidene)-, [8R-(2E,8«alpha»,8a«alpha»)]-
  • 1-Propanol, 2-[(8R,8aS)-3,4,6,7,8,8a-hexahydro-8,8a-dimethyl-2(1H)-naphthalenylidene]-, (2E)-
  • 4«beta»H,5«alpha»-Eremophila-1(10),7(11)-dien-12-ol
  • Isovalencenol
Sources

Physical Properties

Property Value Unit Source
Δf 63.45 kJ/mol Joback Calculated Property
Δfgas -256.41 kJ/mol Joback Calculated Property
Δfus 20.11 kJ/mol Joback Calculated Property
Δvap 66.85 kJ/mol Joback Calculated Property
logPoct/wat 3.84 Crippen Calculated Property
Pc 2254.67 kPa Joback Calculated Property
Tboil 676.24 K Joback Calculated Property
Tc 886.47 K Joback Calculated Property
Tfus 375.01 K Joback Calculated Property
Vc 0.74 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 570.61 J/mol×K 676.24 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< 1
=CH- (ring) 1
-OH (alcohol) 1
=C< (ring) 2
-CH2- 1
>C< (ring) 1
-CH3 3
>CH- (ring) 1
-CH2- (ring) 5

Similar Compounds

E-Eremophila-1(10),7(11)-dien-12-yl methyl ether. Spirovetiva-3,7(11)-dien-12-ol. Eremophila-1(10),7(11)-diene. (E)-2-((8R,8aS)-8,8a-Dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-ylidene)propyl formate. Labda-8,13-(E)-dien-15-ol. Spirovetiva-3,7(11)-dien-12-yl methyl ether. (E)-Eremophila-1(10),7(11)-dien-12-yl acetate. Selina-3,7(11)-diene. 1,7-Cyclogermacra-1(10),4-dien-15-ol. Pseudowiddrene. (Z)-Isovalencenal [eremophila-1(10),7(11)-dien-12-al. (E)-Eremophila 1(10),7(11)-dien-12-al. (Z)-2-((8R,8aS)-8,8a-Dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-ylidene)propanal. (E)-Isovalencenal [eremophila-1(10),7(11)-dien-12-al. Spirovetiva-1(10),7(11)-diene.

Find more compounds similar to (E)-Isovalencenol.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.