Chemical Properties of 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate, [3R-(3«alpha»,3a«beta»,6«alpha»,7«beta»,8a«alpha»)]- (CAS 77-54-3)

1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate, [3R-(3«alpha»,3a«beta»,6«alpha»,7«beta»,8a«alpha»)]-

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InChI
InChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3/t11?,13?,14?,16-,17?/m0/s1
InChI Key
HQKQRXZEXPXXIG-IUGWZREUSA-N
Formula
C17H28O2
SMILES
CC(=O)OC1(C)CCC23CC1C(C)(C)C2CCC3C
Molecular Weight1
264.40
CAS
77-54-3
Other Names
  • 8«beta»H-Cedran-8-ol, acetate
  • Cedryl acetate
  • Acetic acid, cedrol ester
  • Cedranyl acetate
  • 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate
  • [3R-(3«alpha»,3a«beta»,6«alpha»,7«beta»,8a«alpha»)]-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl acetate
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Physical Properties

Property Value Unit Source
Δf -23.21 kJ/mol Joback Calculated Property
Δfgas -448.23 kJ/mol Joback Calculated Property
Δfus 17.10 kJ/mol Joback Calculated Property
Δvap 58.30 kJ/mol Joback Calculated Property
log10WS -4.39 Crippen Calculated Property
logPoct/wat 4.181 Crippen Calculated Property
McVol 225.250 ml/mol McGowan Calculated Property
Pc 1845.16 kPa Joback Calculated Property
Inp [1748.00; 1779.70]   Show Hide
Inp 1768.00 NIST
Inp 1768.30 NIST
Inp 1762.00 NIST
Inp 1762.00 NIST
Inp 1758.00 NIST
Inp Outlier 1779.70 NIST
Inp 1762.00 NIST
Inp 1763.00 NIST
Inp 1771.00 NIST
Inp 1748.00 NIST
Inp 1759.00 NIST
Inp 1759.00 NIST
Inp 1766.00 NIST
Inp 1762.00 NIST
Inp 1748.00 NIST
I [2143.00; 2173.00]   Show Hide
I 2150.00 NIST
I 2151.00 NIST
I 2147.00 NIST
I 2143.00 NIST
I 2173.00 NIST
I 2173.00 NIST
I 2150.00 NIST
Tboil 680.12 K Joback Calculated Property
Tc 906.53 K Joback Calculated Property
Tfus 459.27 K Joback Calculated Property
Vc 0.858 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [690.49; 825.06] J/mol×K [680.12; 906.53] Show Hide
Cp,gas 690.49 J/mol×K 680.12 Joback Calculated Property
Cp,gas 713.37 J/mol×K 717.86 Joback Calculated Property
Cp,gas 735.56 J/mol×K 755.59 Joback Calculated Property
Cp,gas 757.45 J/mol×K 793.33 Joback Calculated Property
Cp,gas 779.41 J/mol×K 831.06 Joback Calculated Property
Cp,gas 801.82 J/mol×K 868.80 Joback Calculated Property
Cp,gas 825.06 J/mol×K 906.53 Joback Calculated Property

Similar Compounds

9«alpha»-acetoxy-presilphiperfolane. Ledol, acetate. Caryophyllene acetate. Sabinene hydrate acetate. cis-Sabinene hydrate acetate. trans-Sabinene hydrate acetate. Patchoulyl acetate. Sclareolide. 8-epi-13-nor-Ambreinolide (isosclareolide). 13-nor-Ambreinolide (Sclareolide). 2(3H)-Benzofuranone, hexahydro-4,4,7a-trimethyl-. Peculiaroxide. 11-Acetoxyeudesma-4-«alpha»-ol. Kessane. Isokessane.

Find more compounds similar to 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate, [3R-(3«alpha»,3a«beta»,6«alpha»,7«beta»,8a«alpha»)]-.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.