- InChI
- InChI=1S/C21H32O5/c1-2-16-25-20(22)14-10-5-3-4-6-11-15-21(23)26-18-17-24-19-12-8-7-9-13-19/h7-9,12-13H,2-6,10-11,14-18H2,1H3
- InChI Key
- KWOCQBYIVNGOJO-UHFFFAOYSA-N
- Formula
- C21H32O5
- SMILES
-
CCCOC(=O)CCCCCCCCC(=O)OCCOc1cc
ccc1 - Molecular Weight1
- 364.48
- 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 | 1.0659 | Relay (1.0) Calculated Property | |
| ΔfG° | -334.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -969.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.683 | Crippen Calculated Property | |
| McVol | 303.740 | ml/mol | McGowan Calculated Property |
| Pc | 1250.38 | kPa | Joback Calculated Property |
| Inp | [2687.00; 2687.00] |
|
|
| Inp | 2687.00 | NIST | |
| Inp | 2687.00 | NIST | |
| Tboil | 658.08 | K | Relay (1.0) Calculated Property |
| Tc | 839.33 | K | Relay (1.0) Calculated Property |
| Tfus | 308.59 | K | Relay (1.0) Calculated Property |
| Vc | 1.149 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [967.40; 1044.34] | J/mol×K | [881.56; 1084.04] |
|
| Cp,gas | 967.40 | J/mol×K | 881.56 | Joback Calculated Property |
| Cp,gas | 983.32 | J/mol×K | 915.31 | Joback Calculated Property |
| Cp,gas | 997.98 | J/mol×K | 949.05 | Joback Calculated Property |
| Cp,gas | 1011.39 | J/mol×K | 982.80 | Joback Calculated Property |
| Cp,gas | 1023.57 | J/mol×K | 1016.55 | Joback Calculated Property |
| Cp,gas | 1034.55 | J/mol×K | 1050.29 | Joback Calculated Property |
| Cp,gas | 1044.34 | J/mol×K | 1084.04 | Joback Calculated Property |
| η | [0.0000350; 0.0004332] | Pa×s | [519.40; 881.56] |
|
| η | 0.0004332 | Pa×s | 519.40 | Joback Calculated Property |
| η | 0.0002290 | Pa×s | 579.76 | Joback Calculated Property |
| η | 0.0001365 | Pa×s | 640.12 | Joback Calculated Property |
| η | 0.0000890 | Pa×s | 700.48 | Joback Calculated Property |
| η | 0.0000621 | Pa×s | 760.84 | Joback Calculated Property |
| η | 0.0000457 | Pa×s | 821.20 | Joback Calculated Property |
| η | 0.0000350 | Pa×s | 881.56 | Joback Calculated Property |
Similar Compounds
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Sources
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