- InChI
- InChI=1S/C22H34O4/c1-19(2)13-12-18-25-21(23)16-10-5-3-4-6-11-17-22(24)26-20-14-8-7-9-15-20/h7-9,14-15,19H,3-6,10-13,16-18H2,1-2H3
- InChI Key
- PCTMWAQVWPNSHM-UHFFFAOYSA-N
- Formula
- C22H34O4
- SMILES
-
CC(C)CCCOC(=O)CCCCCCCCC(=O)Oc1
ccccc1 - Molecular Weight1
- 362.50
- 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° | -223.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -755.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.77 | kJ/mol | Joback Calculated Property |
| log10WS | -6.27 | Crippen Calculated Property | |
| logPoct/wat | 5.692 | Crippen Calculated Property | |
| McVol | 311.960 | ml/mol | McGowan Calculated Property |
| Pc | 1189.88 | kPa | Joback Calculated Property |
| Inp | 2722.00 | NIST | |
| Tboil | 881.58 | K | Joback Calculated Property |
| Tc | 1084.93 | K | Joback Calculated Property |
| Tfus | 493.44 | K | Joback Calculated Property |
| Vc | 1.202 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [998.33; 1080.63] | J/mol×K | [881.58; 1084.93] | 
|
| Cp,gas | 998.33 | J/mol×K | 881.58 | Joback Calculated Property |
| Cp,gas | 1015.04 | J/mol×K | 915.47 | Joback Calculated Property |
| Cp,gas | 1030.51 | J/mol×K | 949.36 | Joback Calculated Property |
| Cp,gas | 1044.77 | J/mol×K | 983.26 | Joback Calculated Property |
| Cp,gas | 1057.86 | J/mol×K | 1017.15 | Joback Calculated Property |
| Cp,gas | 1069.80 | J/mol×K | 1051.04 | Joback Calculated Property |
| Cp,gas | 1080.63 | J/mol×K | 1084.93 | Joback Calculated Property |
| η | [0.0000371; 0.0006396] | Pa×s | [493.44; 881.58] |
|
| η | 0.0006396 | Pa×s | 493.44 | Joback Calculated Property |
| η | 0.0003024 | Pa×s | 558.13 | Joback Calculated Property |
| η | 0.0001670 | Pa×s | 622.82 | Joback Calculated Property |
| η | 0.0001031 | Pa×s | 687.51 | Joback Calculated Property |
| η | 0.0000692 | Pa×s | 752.20 | Joback Calculated Property |
| η | 0.0000495 | Pa×s | 816.89 | Joback Calculated Property |
| η | 0.0000371 | Pa×s | 881.58 | Joback Calculated Property |
Similar Compounds
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Sources
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