- InChI
- InChI=1S/C15H22O/c1-9(2)12-6-5-11(4)15-13(12)7-10(3)8-14(15)16/h7-9,11-12,16H,5-6H2,1-4H3/t11-,12+/m1/s1
- InChI Key
- FDMKIGKOMRSCAW-NEPJUHHUSA-N
- Formula
- C15H22O
- SMILES
- Cc1cc(O)c2c(c1)C(C(C)C)CCC2C
- Molecular Weight1
- 218.33
- CAS
- 95908-33-1
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 52.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -275.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.99 | kJ/mol | Joback Calculated Property |
| log10WS | -4.36 | Crippen Calculated Property | |
| logPoct/wat | 4.338 | Crippen Calculated Property | |
| McVol | 193.460 | ml/mol | McGowan Calculated Property |
| Pc | 2315.84 | kPa | Joback Calculated Property |
| Inp | [2068.00; 2068.00] |
|
|
| Inp | 2068.00 | NIST | |
| Inp | 2068.00 | NIST | |
| I | [2325.00; 2325.00] |
|
|
| I | 2325.00 | NIST | |
| I | 2325.00 | NIST | |
| Tboil | 665.76 | K | Joback Calculated Property |
| Tc | 893.47 | K | Joback Calculated Property |
| Tfus | 417.17 | K | Joback Calculated Property |
| Vc | 0.675 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [547.17; 643.69] | J/mol×K | [665.76; 893.47] |
|
| Cp,gas | 547.17 | J/mol×K | 665.76 | Joback Calculated Property |
| Cp,gas | 565.78 | J/mol×K | 703.71 | Joback Calculated Property |
| Cp,gas | 583.24 | J/mol×K | 741.66 | Joback Calculated Property |
| Cp,gas | 599.66 | J/mol×K | 779.61 | Joback Calculated Property |
| Cp,gas | 615.14 | J/mol×K | 817.56 | Joback Calculated Property |
| Cp,gas | 629.78 | J/mol×K | 855.52 | Joback Calculated Property |
| Cp,gas | 643.69 | J/mol×K | 893.47 | Joback Calculated Property |
| η | [0.0000379; 0.0009983] | Pa×s | [417.17; 665.76] |
|
| η | 0.0009983 | Pa×s | 417.17 | Joback Calculated Property |
| η | 0.0004524 | Pa×s | 458.60 | Joback Calculated Property |
| η | 0.0002338 | Pa×s | 500.03 | Joback Calculated Property |
| η | 0.0001337 | Pa×s | 541.47 | Joback Calculated Property |
| η | 0.0000827 | Pa×s | 582.90 | Joback Calculated Property |
| η | 0.0000546 | Pa×s | 624.33 | Joback Calculated Property |
| η | 0.0000379 | Pa×s | 665.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Hydroxycalamenene.
Sources
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