- InChI
- InChI=1S/C21H34O2/c1-5-6-7-8-9-10-15-23-21(22)18(4)20-13-11-19(12-14-20)16-17(2)3/h11-14,17-18H,5-10,15-16H2,1-4H3
- InChI Key
- MKLFYFVVXDTVGT-UHFFFAOYSA-N
- Formula
- C21H34O2
- SMILES
-
CCCCCCCCOC(=O)C(C)c1ccc(CC(C)C
)cc1 - Molecular Weight1
- 318.49
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -10.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -507.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.66 | kJ/mol | Joback Calculated Property |
| log10WS | -6.27 | Crippen Calculated Property | |
| logPoct/wat | 5.892 | Crippen Calculated Property | |
| McVol | 290.430 | ml/mol | McGowan Calculated Property |
| Pc | 1225.98 | kPa | Joback Calculated Property |
| Inp | [1663.00; 1663.00] |
|
|
| Inp | 1663.00 | NIST | |
| Inp | 1663.00 | NIST | |
| Tboil | 786.95 | K | Joback Calculated Property |
| Tc | 982.51 | K | Joback Calculated Property |
| Tfus | 407.53 | K | Joback Calculated Property |
| Vc | 1.115 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [886.15; 982.89] | J/mol×K | [786.95; 982.51] |
|
| Cp,gas | 886.15 | J/mol×K | 786.95 | Joback Calculated Property |
| Cp,gas | 904.97 | J/mol×K | 819.54 | Joback Calculated Property |
| Cp,gas | 922.66 | J/mol×K | 852.14 | Joback Calculated Property |
| Cp,gas | 939.27 | J/mol×K | 884.73 | Joback Calculated Property |
| Cp,gas | 954.81 | J/mol×K | 917.33 | Joback Calculated Property |
| Cp,gas | 969.34 | J/mol×K | 949.92 | Joback Calculated Property |
| Cp,gas | 982.89 | J/mol×K | 982.51 | Joback Calculated Property |
| η | [0.0000552; 0.0013699] | Pa×s | [407.53; 786.95] |
|
| η | 0.0013699 | Pa×s | 407.53 | Joback Calculated Property |
| η | 0.0005600 | Pa×s | 470.77 | Joback Calculated Property |
| η | 0.0002830 | Pa×s | 534.00 | Joback Calculated Property |
| η | 0.0001652 | Pa×s | 597.24 | Joback Calculated Property |
| η | 0.0001069 | Pa×s | 660.48 | Joback Calculated Property |
| η | 0.0000747 | Pa×s | 723.71 | Joback Calculated Property |
| η | 0.0000552 | Pa×s | 786.95 | Joback Calculated Property |
Similar Compounds
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Sources
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