- InChI
- InChI=1S/C15H24O/c1-10(2)14-8-6-12(4)16-15(14)13-7-5-11(3)9-13/h6,9-10,13-15H,5,7-8H2,1-4H3
- InChI Key
- GUDFQPBIOYFJEG-UHFFFAOYSA-N
- Formula
- C15H24O
- SMILES
- CC1=CC(C2OC(C)=CCC2C(C)C)CC1
- Molecular Weight1
- 220.35
- 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 | 0.3633 | Relay (1.0) Calculated Property | |
| ΔfG° | 80.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -214.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.308 | Crippen Calculated Property | |
| McVol | 197.760 | ml/mol | McGowan Calculated Property |
| Pc | 1949.23 | kPa | Joback Calculated Property |
| Inp | 1478.00 | NIST | |
| I | 1723.00 | NIST | |
| Tboil | 547.22 | K | Relay (1.0) Calculated Property |
| Tc | 742.10 | K | Relay (1.0) Calculated Property |
| Tfus | 255.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.695 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [541.33; 658.18] | J/mol×K | [607.55; 828.08] | 
|
| Cp,gas | 541.33 | J/mol×K | 607.55 | Joback Calculated Property |
| Cp,gas | 564.11 | J/mol×K | 644.30 | Joback Calculated Property |
| Cp,gas | 585.51 | J/mol×K | 681.06 | Joback Calculated Property |
| Cp,gas | 605.57 | J/mol×K | 717.81 | Joback Calculated Property |
| Cp,gas | 624.35 | J/mol×K | 754.57 | Joback Calculated Property |
| Cp,gas | 641.87 | J/mol×K | 791.32 | Joback Calculated Property |
| Cp,gas | 658.18 | J/mol×K | 828.08 | Joback Calculated Property |
| η | [0.0002660; 0.0027190] | Pa×s | [310.98; 607.55] |
|
| η | 0.0027190 | Pa×s | 310.98 | Joback Calculated Property |
| η | 0.0014150 | Pa×s | 360.41 | Joback Calculated Property |
| η | 0.0008621 | Pa×s | 409.84 | Joback Calculated Property |
| η | 0.0005843 | Pa×s | 459.26 | Joback Calculated Property |
| η | 0.0004271 | Pa×s | 508.69 | Joback Calculated Property |
| η | 0.0003301 | Pa×s | 558.12 | Joback Calculated Property |
| η | 0.0002660 | Pa×s | 607.55 | Joback Calculated Property |
Similar Compounds
Sources
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