Chemical Properties of (E)-2-Methyl-5-((1S,2R,4R)-2-methyl-3-methylenebicyclo[2.2.1]heptan-2-yl)pent-2-enoic acid (CAS 872880-61-0)

(E)-2-Methyl-5-((1S,2R,4R)-2-methyl-3-methylenebicyclo[2.2.1]heptan-2-yl)pent-2-enoic acid

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InChI
InChI=1S/C15H22O2/c1-10(14(16)17)5-4-8-15(3)11(2)12-6-7-13(15)9-12/h5,12-13H,2,4,6-9H2,1,3H3,(H,16,17)/b10-5+
InChI Key
PMCPDNGTLRPFQQ-BJMVGYQFSA-N
Formula
C15H22O2
SMILES
C=C1C2CCC(C2)C1(C)CCC=C(C)C(=O)O
Molecular Weight1
234.33
CAS
872880-61-0
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Physical Properties

Property Value Unit Source
Δf 30.63 kJ/mol Joback Calculated Property
Δfgas -291.73 kJ/mol Joback Calculated Property
Δfus 26.97 kJ/mol Joback Calculated Property
Δvap 71.14 kJ/mol Joback Calculated Property
log10WS -3.97 Crippen Calculated Property
logPoct/wat 3.790 Crippen Calculated Property
McVol 199.330 ml/mol McGowan Calculated Property
Pc 2204.15 kPa Joback Calculated Property
Inp [1886.90; 1886.90]   Show Hide
Inp 1886.90 NIST
Inp 1886.90 NIST
Tboil 705.17 K Joback Calculated Property
Tc 905.75 K Joback Calculated Property
Tfus 416.22 K Joback Calculated Property
Vc 0.768 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [586.75; 673.51] J/mol×K [705.17; 905.75] Show Hide
Cp,gas 586.75 J/mol×K 705.17 Joback Calculated Property
Cp,gas 602.31 J/mol×K 738.60 Joback Calculated Property
Cp,gas 617.24 J/mol×K 772.03 Joback Calculated Property
Cp,gas 631.68 J/mol×K 805.46 Joback Calculated Property
Cp,gas 645.78 J/mol×K 838.89 Joback Calculated Property
Cp,gas 659.68 J/mol×K 872.32 Joback Calculated Property
Cp,gas 673.51 J/mol×K 905.75 Joback Calculated Property

Similar Compounds

«beta»-Santalol. (E)-«beta»-Santalol. (E)-«beta»-Santalol. Santalol, E-cis,epi-«beta»-. (Z)-epi-«beta»-Santalol. (Z)-«beta»-Santalol. Bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S-endo)-. Santalene (minor). Bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S-exo)-. Santalene (major). (E)-Santalol acetate. (E)-«beta»-Santalol acetate. epi-«beta»-Santalol, acetate. (E)-5-((1R,3R,6S)-2,3-Dimethyltricyclo[2.2.1.02,6]heptan-3-yl)-2-methylpent-2-enoic acid. Hinesene.

Find more compounds similar to (E)-2-Methyl-5-((1S,2R,4R)-2-methyl-3-methylenebicyclo[2.2.1]heptan-2-yl)pent-2-enoic acid.

Sources

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