![1-Naphthalenepropanol, «alpha»-ethenyldecahydro-2-hydroxy-«alpha»,2,5,5,8a-pentamethyl-, [1R-[1«alpha»(R*),2«beta»,4a«beta»,8a«alpha»]]-](/cid/46-089-3/1-Naphthalenepropanol-alpha-ethenyldecahydro-2-hydroxy-alpha-2-5-5-8a-pentamethyl-1R-1-alpha-R-2-beta-4a-beta-8a-alpha.png "1-Naphthalenepropanol, «alpha»-ethenyldecahydro-2-hydroxy-«alpha»,2,5,5,8a-pentamethyl-, [1R-[1«alpha»(R*),2«beta»,4a«beta»,8a«alpha»]]-")
- InChI
- InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15?,16-,18?,19?,20-/m0/s1
- InChI Key
- XVULBTBTFGYVRC-RBVQMXHFSA-N
- Formula
- C20H36O2
- SMILES
-
C=CC(C)(O)CCC1C(C)(O)CCC2C(C)(
C)CCCC21C - Molecular Weight1
- 308.50
- CAS
- 515-03-7
- Other Names
-
- Labd-14-ene-8,13-diol, (13R)-
- Sclareol
- [1R-[1«alpha»(R*),2«beta»,4a«beta»,8a«alpha»]]-2-hydroxy-«alpha»,2,5,5,8a-pentamethyl-«alpha»-vinyldecahydronaphthalene-1-propan-1-ol
- 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° | -31.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -538.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.64 | kJ/mol | Joback Calculated Property |
| log10WS | -5.62 | Crippen Calculated Property | |
| logPoct/wat | 4.697 | Crippen Calculated Property | |
| McVol | 278.380 | ml/mol | McGowan Calculated Property |
| Pc | 1603.85 | kPa | Joback Calculated Property |
| Inp | [2198.00; 2247.00] |
|
|
| Inp | 2220.00 | NIST | |
| Inp | 2225.00 | NIST | |
| Inp | 2229.00 | NIST | |
| Inp | 2200.00 | NIST | |
| Inp | 2227.00 | NIST | |
| Inp | 2227.00 | NIST | |
| Inp | 2228.00 | NIST | |
| Inp | 2238.70 | NIST | |
| Inp | 2247.00 | NIST | |
| Inp | 2209.00 | NIST | |
| Inp | 2228.00 | NIST | |
| Inp | 2220.00 | NIST | |
| Inp | 2198.00 | NIST | |
| Inp | 2198.00 | NIST | |
| Inp | 2225.00 | NIST | |
| Inp | 2228.00 | NIST | |
| Tboil | 852.08 | K | Joback Calculated Property |
| Tc | 1058.33 | K | Joback Calculated Property |
| Tfus | 518.24 | K | Joback Calculated Property |
| Vc | 1.036 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [962.67; 1119.02] | J/mol×K | [852.08; 1058.33] |
|
| Cp,gas | 962.67 | J/mol×K | 852.08 | Joback Calculated Property |
| Cp,gas | 986.26 | J/mol×K | 886.45 | Joback Calculated Property |
| Cp,gas | 1010.44 | J/mol×K | 920.83 | Joback Calculated Property |
| Cp,gas | 1035.51 | J/mol×K | 955.20 | Joback Calculated Property |
| Cp,gas | 1061.76 | J/mol×K | 989.58 | Joback Calculated Property |
| Cp,gas | 1089.50 | J/mol×K | 1023.95 | Joback Calculated Property |
| Cp,gas | 1119.02 | J/mol×K | 1058.33 | Joback Calculated Property |
Similar Compounds
Sources
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