- InChI
- InChI=1S/C21H32O4/c1-3-16-24-20(22)14-8-6-4-5-7-9-15-21(23)25-17-19-13-11-10-12-18(19)2/h10-13H,3-9,14-17H2,1-2H3
- InChI Key
- JFYSSNBCDAMSPM-UHFFFAOYSA-N
- Formula
- C21H32O4
- SMILES
-
CCCOC(=O)CCCCCCCCC(=O)OCc1cccc
c1C - Molecular Weight1
- 348.48
- 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 | 0.9941 | Relay (1.0) Calculated Property | |
| ΔfG° | -239.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -846.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.112 | Crippen Calculated Property | |
| McVol | 297.870 | ml/mol | McGowan Calculated Property |
| Pc | 1252.15 | kPa | Joback Calculated Property |
| Inp | [2573.00; 2573.00] |
|
|
| Inp | 2573.00 | NIST | |
| Inp | 2573.00 | NIST | |
| Tboil | 641.95 | K | Relay (1.0) Calculated Property |
| Tc | 837.48 | K | Relay (1.0) Calculated Property |
| Tfus | 297.00 | K | Relay (1.0) Calculated Property |
| Vc | 1.119 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [937.16; 1018.08] | J/mol×K | [864.12; 1065.34] |
|
| Cp,gas | 937.16 | J/mol×K | 864.12 | Joback Calculated Property |
| Cp,gas | 953.50 | J/mol×K | 897.66 | Joback Calculated Property |
| Cp,gas | 968.67 | J/mol×K | 931.19 | Joback Calculated Property |
| Cp,gas | 982.68 | J/mol×K | 964.73 | Joback Calculated Property |
| Cp,gas | 995.57 | J/mol×K | 998.27 | Joback Calculated Property |
| Cp,gas | 1007.37 | J/mol×K | 1031.80 | Joback Calculated Property |
| Cp,gas | 1018.08 | J/mol×K | 1065.34 | Joback Calculated Property |
| η | [0.0000476; 0.0005353] | Pa×s | [509.69; 864.12] |
|
| η | 0.0005353 | Pa×s | 509.69 | Joback Calculated Property |
| η | 0.0002901 | Pa×s | 568.76 | Joback Calculated Property |
| η | 0.0001764 | Pa×s | 627.83 | Joback Calculated Property |
| η | 0.0001169 | Pa×s | 686.90 | Joback Calculated Property |
| η | 0.0000826 | Pa×s | 745.98 | Joback Calculated Property |
| η | 0.0000615 | Pa×s | 805.05 | Joback Calculated Property |
| η | 0.0000476 | Pa×s | 864.12 | Joback Calculated Property |
Similar Compounds
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Sources
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