- InChI
- InChI=1S/C16H28O6/c1-6-16(7-2,13(17)19-8-3)14(18)20-10-9-12-11-21-15(4,5)22-12/h12H,6-11H2,1-5H3
- InChI Key
- DSEMECMSXHKNGY-UHFFFAOYSA-N
- Formula
- C16H28O6
- SMILES
-
CCOC(=O)C(CC)(CC)C(=O)OCCC1COC
(C)(C)O1 - Molecular Weight1
- 316.39
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.7133 | Relay (... Calculated Property | |
| ΔfG° | -530.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1235.90 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 40.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.53 | kJ/mol | Relay (... Calculated Property |
| IE | 9.36 | eV | Relay (... Calculated Property |
| log10WS | -1.97 | Relay (... Calculated Property | |
| logPoct/wat | 2.441 | Crippen Calculated Property | |
| McVol | 252.060 | ml/mol | McGowan Calculated Property |
| Pc | 1640.43 | kPa | Joback Calculated Property |
| Inp | 1831.00 | NIST | |
| Tboil | 579.97 | K | Relay (... Calculated Property |
| Tc | 770.15 | K | Relay (... Calculated Property |
| Tfus | 282.17 | K | Relay (... Calculated Property |
| Vc | 0.969 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [793.41; 890.42] | J/mol×K | [779.58; 983.43] | 
|
| Cp,gas | 793.41 | J/mol×K | 779.58 | Joback Calculated Property |
| Cp,gas | 811.11 | J/mol×K | 813.55 | Joback Calculated Property |
| Cp,gas | 828.07 | J/mol×K | 847.53 | Joback Calculated Property |
| Cp,gas | 844.38 | J/mol×K | 881.50 | Joback Calculated Property |
| Cp,gas | 860.14 | J/mol×K | 915.48 | Joback Calculated Property |
| Cp,gas | 875.46 | J/mol×K | 949.45 | Joback Calculated Property |
| Cp,gas | 890.42 | J/mol×K | 983.43 | Joback Calculated Property |
Similar Compounds
Sources
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