![1-Naphthalenemethanol, decahydro-5-(5-hydroxy-3-methyl-3-pentenyl)-1,4a-dimethyl-6-methylene-, [1S-[1«alpha»,4a«alpha»,5«alpha»(E),8a«beta»]]-](/cid/87-813-3/1-Naphthalenemethanol-decahydro-5-5-hydroxy-3-methyl-3-pentenyl-1-4a-dimethyl-6-methylene-1S-1-alpha-4a-alpha-5-alpha-E-8a-beta.png "1-Naphthalenemethanol, decahydro-5-(5-hydroxy-3-methyl-3-pentenyl)-1,4a-dimethyl-6-methylene-, [1S-[1«alpha»,4a«alpha»,5«alpha»(E),8a«beta»]]-")
- InChI
- InChI=1S/C20H34O2/c1-15(10-13-21)6-8-17-16(2)7-9-18-19(3,14-22)11-5-12-20(17,18)4/h10,17-18,21-22H,2,5-9,11-14H2,1,3-4H3/b15-10+
- InChI Key
- MJHWZTRFACWHTA-XNTDXEJSSA-N
- Formula
- C20H34O2
- SMILES
-
C=C1CCC2C(C)(CO)CCCC2(C)C1CCC(
C)=CCO - Molecular Weight1
- 306.48
- CAS
- 1857-24-5
- Other Names
-
- Labda-8(20),13-diene-15,19-diol, (E)-
- (+)-Agathadiol
- Agathadienediol
- Agathadiol
- Agathadiol, (+)-
- Contortadiol
- Agatadiol
- 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 | 0.7744 | Relay (1.0) Calculated Property | |
| ΔfG° | 15.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -479.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.476 | Crippen Calculated Property | |
| McVol | 274.080 | ml/mol | McGowan Calculated Property |
| Pc | 1607.71 | kPa | Joback Calculated Property |
| Inp | 2266.00 | NIST | |
| Tboil | 655.65 | K | Relay (1.0) Calculated Property |
| Tc | 898.50 | K | Relay (1.0) Calculated Property |
| Tfus | 359.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.902 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [934.70; 1068.71] | J/mol×K | [866.26; 1069.65] | 
|
| Cp,gas | 934.70 | J/mol×K | 866.26 | Joback Calculated Property |
| Cp,gas | 955.99 | J/mol×K | 900.16 | Joback Calculated Property |
| Cp,gas | 977.42 | J/mol×K | 934.06 | Joback Calculated Property |
| Cp,gas | 999.20 | J/mol×K | 967.96 | Joback Calculated Property |
| Cp,gas | 1021.53 | J/mol×K | 1001.86 | Joback Calculated Property |
| Cp,gas | 1044.64 | J/mol×K | 1035.75 | Joback Calculated Property |
| Cp,gas | 1068.71 | J/mol×K | 1069.65 | Joback Calculated Property |
Similar Compounds
Sources
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