- InChI
- InChI=1S/C22H34O4/c1-4-5-16-25-21(23)12-10-8-6-7-9-11-13-22(24)26-20-15-14-18(2)19(3)17-20/h14-15,17H,4-13,16H2,1-3H3
- InChI Key
- KCAZJBALSUWNCJ-UHFFFAOYSA-N
- Formula
- C22H34O4
- SMILES
-
CCCCOC(=O)CCCCCCCCC(=O)Oc1ccc(
C)c(C)c1 - Molecular Weight1
- 362.50
- 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 | 1.0587 | Relay (1.0) Calculated Property | |
| ΔfG° | -240.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -896.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.673 | Crippen Calculated Property | |
| McVol | 311.960 | ml/mol | McGowan Calculated Property |
| Pc | 1159.29 | kPa | Joback Calculated Property |
| Inp | 2799.00 | NIST | |
| Tboil | 647.63 | K | Relay (1.0) Calculated Property |
| Tc | 852.88 | K | Relay (1.0) Calculated Property |
| Tfus | 305.83 | K | Relay (1.0) Calculated Property |
| Vc | 1.176 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [996.72; 1077.39] | J/mol×K | [891.98; 1096.12] | 
|
| Cp,gas | 996.72 | J/mol×K | 891.98 | Joback Calculated Property |
| Cp,gas | 1013.19 | J/mol×K | 926.00 | Joback Calculated Property |
| Cp,gas | 1028.42 | J/mol×K | 960.03 | Joback Calculated Property |
| Cp,gas | 1042.43 | J/mol×K | 994.05 | Joback Calculated Property |
| Cp,gas | 1055.25 | J/mol×K | 1028.08 | Joback Calculated Property |
| Cp,gas | 1066.89 | J/mol×K | 1062.10 | Joback Calculated Property |
| Cp,gas | 1077.39 | J/mol×K | 1096.12 | Joback Calculated Property |
| η | [0.0000420; 0.0004177] | Pa×s | [533.48; 891.98] |
|
| η | 0.0004177 | Pa×s | 533.48 | Joback Calculated Property |
| η | 0.0002348 | Pa×s | 593.23 | Joback Calculated Property |
| η | 0.0001467 | Pa×s | 652.98 | Joback Calculated Property |
| η | 0.0000992 | Pa×s | 712.73 | Joback Calculated Property |
| η | 0.0000712 | Pa×s | 772.48 | Joback Calculated Property |
| η | 0.0000537 | Pa×s | 832.23 | Joback Calculated Property |
| η | 0.0000420 | Pa×s | 891.98 | Joback Calculated Property |
Similar Compounds
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Sources
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