- InChI
- InChI=1S/C14H24O2/c1-11(2)6-5-7-12(3)8-9-14-15-10-13(4)16-14/h6,8,13-14H,5,7,9-10H2,1-4H3/b12-8-
- InChI Key
- SOLUPKFWUPOIEI-WQLSENKSSA-N
- Formula
- C14H24O2
- SMILES
- CC(C)=CCCC(C)=CCC1OCC(C)O1
- Molecular Weight1
- 224.34
- 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).
- 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 | 0.4345 | Relay (... Calculated Property | |
| ΔfG° | 66.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -430.87 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 40.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.02 | kJ/mol | Relay (... Calculated Property |
| IE | 8.57 | eV | Relay (... Calculated Property |
| log10WS | -3.52 | Relay (... Calculated Property | |
| logPoct/wat | 3.831 | Crippen Calculated Property | |
| McVol | 200.400 | ml/mol | McGowan Calculated Property |
| Pc | 1859.51 | kPa | Joback Calculated Property |
| I | [1836.00; 1847.00] |
|
|
| I | 1836.00 | NIST | |
| I | 1847.00 | NIST | |
| I | 1836.00 | NIST | |
| Tboil | 538.90 | K | Relay (... Calculated Property |
| Tc | 714.05 | K | Relay (... Calculated Property |
| Tfus | 245.28 | K | Relay (... Calculated Property |
| Vc | 0.738 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [531.62; 634.43] | J/mol×K | [592.31; 794.04] |
|
| Cp,gas | 531.62 | J/mol×K | 592.31 | Joback Calculated Property |
| Cp,gas | 551.33 | J/mol×K | 625.93 | Joback Calculated Property |
| Cp,gas | 569.94 | J/mol×K | 659.55 | Joback Calculated Property |
| Cp,gas | 587.49 | J/mol×K | 693.18 | Joback Calculated Property |
| Cp,gas | 604.05 | J/mol×K | 726.80 | Joback Calculated Property |
| Cp,gas | 619.68 | J/mol×K | 760.42 | Joback Calculated Property |
| Cp,gas | 634.43 | J/mol×K | 794.04 | Joback Calculated Property |
Similar Compounds
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Sources
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