- InChI
- InChI=1S/C21H32O4/c1-5-10-17(11-6-2)25-21(23)19-14-8-7-13-18(19)20(22)24-15-9-12-16(3)4/h7-8,13-14,16-17H,5-6,9-12,15H2,1-4H3
- InChI Key
- AVAODXYDFYMSAL-UHFFFAOYSA-N
- Formula
- C21H32O4
- SMILES
-
CCCC(CCC)OC(=O)c1ccccc1C(=O)OC
CCC(C)C - 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 | 0.9500 | Relay (... Calculated Property | |
| ΔfG° | -244.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -865.64 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 42.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.26 | kJ/mol | Relay (... Calculated Property |
| IE | 9.00 | eV | Relay (... Calculated Property |
| log10WS | -5.68 | Relay (... Calculated Property | |
| logPoct/wat | 5.405 | Crippen Calculated Property | |
| McVol | 297.870 | ml/mol | McGowan Calculated Property |
| Pc | 1266.45 | kPa | Joback Calculated Property |
| Inp | [2267.00; 2267.00] |
|
|
| Inp | 2267.00 | NIST | |
| Inp | 2267.00 | NIST | |
| Tboil | 632.68 | K | Relay (... Calculated Property |
| Tc | 829.97 | K | Relay (... Calculated Property |
| Tfus | 236.20 | K | Relay (... Calculated Property |
| Vc | 1.098 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [938.15; 1019.48] | J/mol×K | [863.24; 1067.43] |
|
| Cp,gas | 938.15 | J/mol×K | 863.24 | Joback Calculated Property |
| Cp,gas | 954.70 | J/mol×K | 897.27 | Joback Calculated Property |
| Cp,gas | 970.02 | J/mol×K | 931.30 | Joback Calculated Property |
| Cp,gas | 984.13 | J/mol×K | 965.34 | Joback Calculated Property |
| Cp,gas | 997.06 | J/mol×K | 999.37 | Joback Calculated Property |
| Cp,gas | 1008.83 | J/mol×K | 1033.40 | Joback Calculated Property |
| Cp,gas | 1019.48 | J/mol×K | 1067.43 | Joback Calculated Property |
| η | [0.0000399; 0.0006933] | Pa×s | [479.69; 863.24] |
|
| η | 0.0006933 | Pa×s | 479.69 | Joback Calculated Property |
| η | 0.0003257 | Pa×s | 543.62 | Joback Calculated Property |
| η | 0.0001793 | Pa×s | 607.54 | Joback Calculated Property |
| η | 0.0001106 | Pa×s | 671.47 | Joback Calculated Property |
| η | 0.0000742 | Pa×s | 735.39 | Joback Calculated Property |
| η | 0.0000531 | Pa×s | 799.32 | Joback Calculated Property |
| η | 0.0000399 | Pa×s | 863.24 | Joback Calculated Property |
Similar Compounds
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Sources
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