![(3aS,5S,8S)-3a-Hydroxy-1,5,8-trimethyl-4,5,8,9-tetrahydronaphtho[2,1-b]furan-2,6(3aH,7H)-dione](/cid/85-017-9/3aS-5S-8S-3a-Hydroxy-1-5-8-trimethyl-4-5-8-9-tetrahydronaphtho-2-1-b-furan-2-6-3aH-7H-dione.png "(3aS,5S,8S)-3a-Hydroxy-1,5,8-trimethyl-4,5,8,9-tetrahydronaphtho[2,1-b]furan-2,6(3aH,7H)-dione")
- InChI
- InChI=1S/C15H18O4/c1-7-4-10-12(11(16)5-7)8(2)6-15(18)13(10)9(3)14(17)19-15/h7-8,18H,4-6H2,1-3H3/t7-,8-,15-/m1/s1
- InChI Key
- GOVDXHQBFLNYLG-KDZIRCDLSA-N
- Formula
- C15H18O4
- SMILES
-
CC1=C2C3=C(C(=O)CC(C)C3)C(C)CC
2(O)OC1=O - Molecular Weight1
- 262.30
- CAS
- 1147340-35-9
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6322 | Relay (... Calculated Property | |
| ΔfG° | -242.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -705.88 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.09 | kJ/mol | Relay (... Calculated Property |
| IE | 8.56 | eV | Relay (... Calculated Property |
| log10WS | -2.49 | Relay (... Calculated Property | |
| logPoct/wat | 1.884 | Crippen Calculated Property | |
| McVol | 195.910 | ml/mol | McGowan Calculated Property |
| Pc | 2608.40 | kPa | Joback Calculated Property |
| Inp | [1904.40; 1904.40] |
|
|
| Inp | 1904.40 | NIST | |
| Inp | 1904.40 | NIST | |
| Tboil | 579.84 | K | Relay (... Calculated Property |
| Tc | 888.53 | K | Relay (... Calculated Property |
| Tfus | 428.45 | K | Relay (... Calculated Property |
| Vc | 0.715 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [648.73; 743.49] | J/mol×K | [853.15; 1089.51] |
|
| Cp,gas | 648.73 | J/mol×K | 853.15 | Joback Calculated Property |
| Cp,gas | 665.35 | J/mol×K | 892.54 | Joback Calculated Property |
| Cp,gas | 681.48 | J/mol×K | 931.94 | Joback Calculated Property |
| Cp,gas | 697.23 | J/mol×K | 971.33 | Joback Calculated Property |
| Cp,gas | 712.74 | J/mol×K | 1010.72 | Joback Calculated Property |
| Cp,gas | 728.12 | J/mol×K | 1050.11 | Joback Calculated Property |
| Cp,gas | 743.49 | J/mol×K | 1089.51 | Joback Calculated Property |
Similar Compounds
Sources
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