- InChI
- InChI=1S/C19H30O2/c1-5-6-7-8-13-21-19(20)16(4)18-11-9-17(10-12-18)14-15(2)3/h9-12,15-16H,5-8,13-14H2,1-4H3
- InChI Key
- LLTNCZLHUNOWNU-UHFFFAOYSA-N
- Formula
- C19H30O2
- SMILES
-
CCCCCCOC(=O)C(C)c1ccc(CC(C)C)c
c1 - Molecular Weight1
- 290.44
- 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.
- 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 | 0.7676 | Relay (1.0) Calculated Property | |
| ΔfG° | -26.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -551.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.112 | Crippen Calculated Property | |
| McVol | 262.250 | ml/mol | McGowan Calculated Property |
| Pc | 1409.07 | kPa | Joback Calculated Property |
| Inp | [1557.00; 1557.00] |
|
|
| Inp | 1557.00 | NIST | |
| Inp | 1557.00 | NIST | |
| Tboil | 595.26 | K | Relay (1.0) Calculated Property |
| Tc | 799.75 | K | Relay (1.0) Calculated Property |
| Tfus | 275.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.968 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [768.82; 863.91] | J/mol×K | [741.19; 938.21] |
|
| Cp,gas | 768.82 | J/mol×K | 741.19 | Joback Calculated Property |
| Cp,gas | 787.26 | J/mol×K | 774.03 | Joback Calculated Property |
| Cp,gas | 804.63 | J/mol×K | 806.86 | Joback Calculated Property |
| Cp,gas | 820.94 | J/mol×K | 839.70 | Joback Calculated Property |
| Cp,gas | 836.24 | J/mol×K | 872.53 | Joback Calculated Property |
| Cp,gas | 850.55 | J/mol×K | 905.37 | Joback Calculated Property |
| Cp,gas | 863.91 | J/mol×K | 938.21 | Joback Calculated Property |
| η | [0.0000720; 0.0016841] | Pa×s | [384.99; 741.19] |
|
| η | 0.0016841 | Pa×s | 384.99 | Joback Calculated Property |
| η | 0.0007010 | Pa×s | 444.36 | Joback Calculated Property |
| η | 0.0003588 | Pa×s | 503.72 | Joback Calculated Property |
| η | 0.0002115 | Pa×s | 563.09 | Joback Calculated Property |
| η | 0.0001379 | Pa×s | 622.46 | Joback Calculated Property |
| η | 0.0000968 | Pa×s | 681.82 | Joback Calculated Property |
| η | 0.0000720 | Pa×s | 741.19 | Joback Calculated Property |
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Sources
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