Chemical Properties of 2(3H)-Benzofuranone, hexahydro-4,4,7a-trimethyl- (CAS 16778-27-1)

2(3H)-Benzofuranone, hexahydro-4,4,7a-trimethyl-

InChI
InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h8H,4-7H2,1-3H3
InChI Key
IGSYVKHPYSDDQD-UHFFFAOYSA-N
Formula
C11H18O2
SMILES
CC1(C)CCCC2(C)OC(=O)CC12
Molecular Weight1
182.26
CAS
16778-27-1
Other Names
  • Tetrahydroactinidiolide
  • Hexahydro-4,4,7a-trimethyl-2-benzofuranone
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Physical Properties

Property Value Unit Source
ω 0.4011 Relay (1.0) Calculated Property
ΔfG° -100.46 kJ/mol Joback Calculated Property
ΔfH°gas -493.84 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 10.18 kJ/mol Joback Calculated Property
ΔvapH° 62.70 kJ/mol Relay (1.0) Calculated Property
IE 9.44 eV Relay (1.0) Calculated Property
log10WS -2.64 Relay (1.0) Calculated Property
logPoct/wat 2.518 Crippen Calculated Property
McVol 151.570 ml/mol McGowan Calculated Property
Pc 2902.98 kPa Joback Calculated Property
I 2305.00 NIST
Tboil 536.43 K Relay (1.0) Calculated Property
Tc 753.81 K Relay (1.0) Calculated Property
Tfus 389.92 K Relay (1.0) Calculated Property
Vc 0.536 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [405.29; 511.17] J/mol×K [567.95; 811.06] Show Hide
Cp,gas 405.29 J/mol×K 567.95 Joback Calculated Property
Cp,gas 425.29 J/mol×K 608.47 Joback Calculated Property
Cp,gas 443.99 J/mol×K 648.99 Joback Calculated Property
Cp,gas 461.66 J/mol×K 689.51 Joback Calculated Property
Cp,gas 478.57 J/mol×K 730.03 Joback Calculated Property
Cp,gas 494.98 J/mol×K 770.55 Joback Calculated Property
Cp,gas 511.17 J/mol×K 811.06 Joback Calculated Property

Similar Compounds

Sclareolide. 13-nor-Ambreinolide (Sclareolide). 8-epi-13-nor-Ambreinolide (isosclareolide). 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate, [3R-(3«alpha»,3a«beta»,6«alpha»,7«beta»,8a«alpha»)]-. 9«alpha»-acetoxy-presilphiperfolane. 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)-. Caryophyllene acetate. Ledol, acetate. Patchoulyl acetate. Sabinene hydrate acetate. cis-Sabinene hydrate acetate. trans-Sabinene hydrate acetate. Oplopanoyl acetate. «alpha»-Dihydroagarofuran. 2H-3,9a-Methano-1-benzoxepin, octahydro-2,2,5a,9-tetramethyl-, [3R-(3«alpha»,5a«alpha»,9«alpha»,9a«alpha»)]-.

Find more compounds similar to 2(3H)-Benzofuranone, hexahydro-4,4,7a-trimethyl-.

Sources

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