![4aH-Cycloprop[e]azulen-4a-ol, decahydro-1,1,4,7-tetramethyl-, [1aR-(1a«alpha»,4«beta»,4a«beta»,7«alpha»,7a«beta»,7b«alpha»)]-](/cid/79-291-2/4aH-Cycloprop-e-azulen-4a-ol-decahydro-1-1-4-7-tetramethyl-1aR-1a-alpha-4-beta-4a-beta-7-alpha-7a-beta-7b-alpha.png "4aH-Cycloprop[e]azulen-4a-ol, decahydro-1,1,4,7-tetramethyl-, [1aR-(1a«alpha»,4«beta»,4a«beta»,7«alpha»,7a«beta»,7b«alpha»)]-")
- InChI
- InChI=1S/C15H26O/c1-9-7-8-15(16)10(2)5-6-11-13(12(9)15)14(11,3)4/h9-13,16H,5-8H2,1-4H3
- InChI Key
- QWRTXOOFEHOROQ-UHFFFAOYSA-N
- Formula
- C15H26O
- SMILES
- CC1CCC2(O)C(C)CCC3C(C12)C3(C)C
- Molecular Weight1
- 222.37
- CAS
- 5986-49-2
- Other Names
-
- (1aR,4S,4aS,7R,7aS,7bR)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4a-ol
- 4aH-Cycloprop[e]azulen-4a-ol, decahydro-1,1,4,7-tetramethyl-, (1aR,4S,4aS,7R,7aS,7bR)-
- Palustrol
- Palustrol (Ledum)
- 4aH-Cycloprop[e]azulen-4a-ol, decahydro-1,1,4,7-tetramethyl-
- Diepi-palustrol
- 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.
- I : 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 | 0.5032 | Relay (1.0) Calculated Property | |
| ΔfG° | 54.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -284.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.466 | Crippen Calculated Property | |
| McVol | 195.500 | ml/mol | McGowan Calculated Property |
| Pc | 2127.56 | kPa | Joback Calculated Property |
| Inp | [1548.00; 1581.00] |
|
|
| Inp | 1567.00 | NIST | |
| Inp | 1556.00 | NIST | |
| Inp | 1562.00 | NIST | |
| Inp | 1571.00 | NIST | |
| Inp | 1562.00 | NIST | |
| Inp | 1563.00 | NIST | |
| Inp | 1548.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1567.00 | NIST | |
| Inp | 1570.00 | NIST | |
| Inp | 1563.00 | NIST | |
| Inp | 1569.00 | NIST | |
| Inp | 1571.00 | NIST | |
| Inp | 1550.00 | NIST | |
| Inp | 1566.00 | NIST | |
| Inp | 1555.00 | NIST | |
| Inp | 1561.00 | NIST | |
| Inp | 1568.00 | NIST | |
| Inp | 1579.00 | NIST | |
| Inp | 1565.00 | NIST | |
| Inp | 1550.00 | NIST | |
| Inp | 1550.00 | NIST | |
| Inp | 1565.00 | NIST | |
| Inp | 1557.00 | NIST | |
| Inp | 1555.00 | NIST | |
| Inp | 1568.00 | NIST | |
| Inp | Outlier 1581.00 | NIST | |
| Inp | 1567.00 | NIST | |
| Inp | 1561.00 | NIST | |
| Inp | 1567.00 | NIST | |
| I | [1885.00; 1980.00] |
|
|
| I | 1931.00 | NIST | |
| I | 1938.00 | NIST | |
| I | 1938.00 | NIST | |
| I | Outlier 1980.00 | NIST | |
| I | 1914.00 | NIST | |
| I | 1933.00 | NIST | |
| I | 1910.00 | NIST | |
| I | 1914.00 | NIST | |
| I | 1915.00 | NIST | |
| I | Outlier 1885.00 | NIST | |
| I | 1934.00 | NIST | |
| I | 1934.00 | NIST | |
| I | 1934.00 | NIST | |
| I | 1934.00 | NIST | |
| I | 1934.00 | NIST | |
| I | 1936.00 | NIST | |
| I | 1934.00 | NIST | |
| I | 1934.00 | NIST | |
| I | 1934.00 | NIST | |
| I | 1934.00 | NIST | |
| I | 1934.00 | NIST | |
| I | 1931.00 | NIST | |
| I | 1903.00 | NIST | |
| I | 1915.00 | NIST | |
| I | 1928.00 | NIST | |
| I | 1953.00 | NIST | |
| I | 1938.00 | NIST | |
| I | 1938.00 | NIST | |
| I | 1938.00 | NIST | |
| I | 1938.00 | NIST | |
| I | 1938.00 | NIST | |
| I | 1938.00 | NIST | |
| I | 1938.00 | NIST | |
| I | 1938.00 | NIST | |
| I | 1934.00 | NIST | |
| I | 1931.00 | NIST | |
| I | Outlier 1980.00 | NIST | |
| I | 1956.00 | NIST | |
| I | 1953.00 | NIST | |
| I | 1931.00 | NIST | |
| I | 1953.00 | NIST | |
| I | 1953.00 | NIST | |
| I | 1953.00 | NIST | |
| I | 1953.00 | NIST | |
| I | 1932.00 | NIST | |
| I | 1956.00 | NIST | |
| I | 1953.00 | NIST | |
| Tboil | 538.72 | K | Relay (1.0) Calculated Property |
| Tc | 805.32 | K | Relay (1.0) Calculated Property |
| Tfus | 350.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.703 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [600.58; 713.82] | J/mol×K | [645.34; 851.43] |
|
| Cp,gas | 600.58 | J/mol×K | 645.34 | Joback Calculated Property |
| Cp,gas | 621.09 | J/mol×K | 679.69 | Joback Calculated Property |
| Cp,gas | 640.66 | J/mol×K | 714.04 | Joback Calculated Property |
| Cp,gas | 659.50 | J/mol×K | 748.38 | Joback Calculated Property |
| Cp,gas | 677.83 | J/mol×K | 782.73 | Joback Calculated Property |
| Cp,gas | 695.86 | J/mol×K | 817.08 | Joback Calculated Property |
| Cp,gas | 713.82 | J/mol×K | 851.43 | Joback Calculated Property |
Similar Compounds
Sources
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Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.