- InChI
- InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1
- InChI Key
- PGTJIOWQJWHTJJ-STQMWFEESA-N
- Formula
- C15H22
- SMILES
- Cc1ccc2c(c1)C(C(C)C)CCC2C
- Molecular Weight1
- 202.34
- ω : Acentric Factor.
- 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).
- 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 | 0.4221 | Relay (... Calculated Property | |
| ΔfG° | 207.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -87.63 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.38 | kJ/mol | Relay (... Calculated Property |
| IE | 7.92 | eV | Relay (... Calculated Property |
| log10WS | -5.40 | Relay (... Calculated Property | |
| logPoct/wat | 4.632 | Crippen Calculated Property | |
| McVol | 187.590 | ml/mol | McGowan Calculated Property |
| Pc | 2016.32 | kPa | Joback Calculated Property |
| Inp | [1517.00; 1555.00] |
|
|
| Inp | 1520.00 | NIST | |
| Inp | 1518.00 | NIST | |
| Inp | 1521.00 | NIST | |
| Inp | 1555.00 | NIST | |
| Inp | 1532.00 | NIST | |
| Inp | 1517.00 | NIST | |
| Inp | 1528.00 | NIST | |
| Inp | 1555.00 | NIST | |
| Inp | 1520.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1520.00 | NIST | |
| I | [1839.00; 1839.00] |
|
|
| I | 1839.00 | NIST | |
| I | 1839.00 | NIST | |
| Tboil | 551.96 | K | Relay (... Calculated Property |
| Tc | 760.54 | K | Relay (... Calculated Property |
| Tfus | 313.58 | K | Relay (... Calculated Property |
| Vc | 0.674 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [482.92; 590.72] | J/mol×K | [585.14; 803.63] |
|
| Cp,gas | 482.92 | J/mol×K | 585.14 | Joback Calculated Property |
| Cp,gas | 503.81 | J/mol×K | 621.55 | Joback Calculated Property |
| Cp,gas | 523.46 | J/mol×K | 657.97 | Joback Calculated Property |
| Cp,gas | 541.93 | J/mol×K | 694.38 | Joback Calculated Property |
| Cp,gas | 559.26 | J/mol×K | 730.80 | Joback Calculated Property |
| Cp,gas | 575.50 | J/mol×K | 767.21 | Joback Calculated Property |
| Cp,gas | 590.72 | J/mol×K | 803.63 | Joback Calculated Property |
| η | [0.0003052; 0.0018212] | Pa×s | [305.45; 585.14] |
|
| η | 0.0018212 | Pa×s | 305.45 | Joback Calculated Property |
| η | 0.0011104 | Pa×s | 352.07 | Joback Calculated Property |
| η | 0.0007601 | Pa×s | 398.68 | Joback Calculated Property |
| η | 0.0005632 | Pa×s | 445.30 | Joback Calculated Property |
| η | 0.0004418 | Pa×s | 491.91 | Joback Calculated Property |
| η | 0.0003614 | Pa×s | 538.52 | Joback Calculated Property |
| η | 0.0003052 | Pa×s | 585.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Calamenene.
Sources
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