- InChI
- InChI=1S/C20H32O2/c1-5-6-7-8-9-14-22-20(21)17(4)19-12-10-18(11-13-19)15-16(2)3/h10-13,16-17H,5-9,14-15H2,1-4H3
- InChI Key
- VRFMZSTUQGMPQJ-UHFFFAOYSA-N
- Formula
- C20H32O2
- SMILES
-
CCCCCCCOC(=O)C(C)c1ccc(CC(C)C)
cc1 - Molecular Weight1
- 304.47
- 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 | 0.8080 | Relay (1.0) Calculated Property | |
| ΔfG° | -18.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -570.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.502 | Crippen Calculated Property | |
| McVol | 276.340 | ml/mol | McGowan Calculated Property |
| Pc | 1312.75 | kPa | Joback Calculated Property |
| Inp | [1609.00; 1609.00] |
|
|
| Inp | 1609.00 | NIST | |
| Inp | 1609.00 | NIST | |
| Tboil | 603.99 | K | Relay (1.0) Calculated Property |
| Tc | 809.54 | K | Relay (1.0) Calculated Property |
| Tfus | 280.16 | K | Relay (1.0) Calculated Property |
| Vc | 1.023 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [827.02; 922.99] | J/mol×K | [764.07; 960.08] |
|
| Cp,gas | 827.02 | J/mol×K | 764.07 | Joback Calculated Property |
| Cp,gas | 845.65 | J/mol×K | 796.74 | Joback Calculated Property |
| Cp,gas | 863.19 | J/mol×K | 829.41 | Joback Calculated Property |
| Cp,gas | 879.66 | J/mol×K | 862.08 | Joback Calculated Property |
| Cp,gas | 895.09 | J/mol×K | 894.74 | Joback Calculated Property |
| Cp,gas | 909.52 | J/mol×K | 927.41 | Joback Calculated Property |
| Cp,gas | 922.99 | J/mol×K | 960.08 | Joback Calculated Property |
| η | [0.0000632; 0.0015227] | Pa×s | [396.26; 764.07] |
|
| η | 0.0015227 | Pa×s | 396.26 | Joback Calculated Property |
| η | 0.0006280 | Pa×s | 457.56 | Joback Calculated Property |
| η | 0.0003193 | Pa×s | 518.86 | Joback Calculated Property |
| η | 0.0001873 | Pa×s | 580.17 | Joback Calculated Property |
| η | 0.0001216 | Pa×s | 641.47 | Joback Calculated Property |
| η | 0.0000852 | Pa×s | 702.77 | Joback Calculated Property |
| η | 0.0000632 | Pa×s | 764.07 | Joback Calculated Property |
Similar Compounds
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Sources
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