![Cyclodeca[b]furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-3,6,10-trimethyl-, [3S-(3R*,3aR*,6E,10E,11aR*)]-](/cid/93-006-2/Cyclodeca-b-furan-2-3H-one-3a-4-5-8-9-11a-hexahydro-3-6-10-trimethyl-3S-3R-3aR-6E-10E-11aR.png "Cyclodeca[b]furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-3,6,10-trimethyl-, [3S-(3R*,3aR*,6E,10E,11aR*)]-")
- InChI
- InChI=1S/C15H22O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,12-14H,4,6-8H2,1-3H3/b10-5-,11-9-
- InChI Key
- OVDMFKGCVWVONO-GYIATTAWSA-N
- Formula
- C15H22O2
- SMILES
- CC1=CC2OC(=O)C(C)C2CCC(C)=CCC1
- Molecular Weight1
- 234.33
- CAS
- 2225-79-8
- Other Names
-
- Germacra-1(10),4-dien-12-oic acid, 6«alpha»-hydroxy-, «gamma»-lactone, (E,E)-(11S)-
- Costunolide, dihydro-
- Cyclodeca[b]furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-3,6,10-trimethyl-, [3S-(3R*,3aR*,6E,10E,11aS*)]-
- Dihydrocostunolide
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -63.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -447.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.37 | kJ/mol | Joback Calculated Property |
| log10WS | -4.09 | Crippen Calculated Property | |
| logPoct/wat | 3.631 | Crippen Calculated Property | |
| McVol | 199.330 | ml/mol | McGowan Calculated Property |
| Pc | 2088.84 | kPa | Joback Calculated Property |
| Inp | [1898.00; 1898.00] |
|
|
| Inp | 1898.00 | NIST | |
| Inp | 1898.00 | NIST | |
| Tboil | 684.35 | K | Joback Calculated Property |
| Tc | 927.07 | K | Joback Calculated Property |
| Tfus | 387.16 | K | Joback Calculated Property |
| Vc | 0.733 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [586.87; 699.89] | J/mol×K | [684.35; 927.07] |
|
| Cp,gas | 586.87 | J/mol×K | 684.35 | Joback Calculated Property |
| Cp,gas | 609.93 | J/mol×K | 724.80 | Joback Calculated Property |
| Cp,gas | 631.32 | J/mol×K | 765.26 | Joback Calculated Property |
| Cp,gas | 651.02 | J/mol×K | 805.71 | Joback Calculated Property |
| Cp,gas | 669.03 | J/mol×K | 846.17 | Joback Calculated Property |
| Cp,gas | 685.32 | J/mol×K | 886.62 | Joback Calculated Property |
| Cp,gas | 699.89 | J/mol×K | 927.07 | Joback Calculated Property |
Similar Compounds
Sources
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