Chemical Properties of Valerenic acid (CAS 3569-10-6)

Valerenic acid

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InChI
InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8+/t9-,12+,13?/m1/s1
InChI Key
FEBNTWHYQKGEIQ-OPZDXMJLSA-N
Formula
C15H22O2
SMILES
CC(=CC1CCC(C)C2CCC(C)=C12)C(=O)O
Molecular Weight1
234.33
CAS
3569-10-6
Other Names
  • 2-Propenoic acid, 3-[(4S,7R,7aR)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-, (2E)-
  • Valeric acid

Physical Properties

Property Value Unit Source
Δf -30.46 kJ/mol Joback Calculated Property
Δfgas -368.69 kJ/mol Joback Calculated Property
Δfus 30.67 kJ/mol Joback Calculated Property
Δvap 74.10 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 2187.68 kPa Joback Calculated Property
Inp [1831.00; 1876.50]   Show Hide
Inp 1876.50 NIST
Inp 1865.00 NIST
Inp 1862.50 NIST
Inp 1850.00 NIST
Inp 1831.00 NIST
Tboil 723.43 K Joback Calculated Property
Tc 930.48 K Joback Calculated Property
Tfus 397.40 K Joback Calculated Property
Vc 0.756 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [596.59; 681.69] J/mol×K [723.43; 930.48] Show Hide
Cp,gas 596.59 J/mol×K 723.43 Joback Calculated Property
Cp,gas 613.04 J/mol×K 757.94 Joback Calculated Property
Cp,gas 628.50 J/mol×K 792.45 Joback Calculated Property
Cp,gas 643.03 J/mol×K 826.95 Joback Calculated Property
Cp,gas 656.70 J/mol×K 861.46 Joback Calculated Property
Cp,gas 669.56 J/mol×K 895.97 Joback Calculated Property
Cp,gas 681.69 J/mol×K 930.48 Joback Calculated Property

Similar Compounds

Methyl valerenate. Valerenic acid, TMS. Valerenol. Valerenol (cis). Valerenol (trans). Valerenal. Valerena-4,7(11)-diene. (E)-3-((5R,7R,7aR)-3,7-Dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-5-yl)-2-methylprop-2-en-1-ol. 14-Hydroxy-«delta»-cadinene. trans-Valerenyl acetate. Valerenyl acetate. cis-Valerenyl acetate. Cadina-1,4-dien-3-ol. (-)-(1R,6S,10S)-Amorpha-4,7(11)-dien-3-one. Pacifigorgia-1(6),10-diene.

Find more compounds similar to Valerenic acid.

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