- InChI
- InChI=1S/C27H54O13/c1-3-4-5-40-27(28)26-39-25-24-38-23-22-37-21-20-36-19-18-35-17-16-34-15-14-33-13-12-32-11-10-31-9-8-30-7-6-29-2/h3-26H2,1-2H3
- InChI Key
- MAVPKUMTKBZCCY-UHFFFAOYSA-N
- Formula
- C27H54O13
- SMILES
-
CCCCOC(=O)COCCOCCOCCOCCOCCOCCO
CCOCCOCCOCCOC - Molecular Weight1
- 586.71
- 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 | 1.5871 | Relay (1.0) Calculated Property | |
| ΔfG° | -1212.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2247.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 81.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.142 | Crippen Calculated Property | |
| McVol | 463.300 | ml/mol | McGowan Calculated Property |
| Pc | 640.60 | kPa | Joback Calculated Property |
| Inp | [3832.10; 3832.10] |
|
|
| Inp | 3832.10 | NIST | |
| Inp | 3832.10 | NIST | |
| Tboil | 774.95 | K | Relay (1.0) Calculated Property |
| Tc | 912.20 | K | Relay (1.0) Calculated Property |
| Tfus | 201.12 | K | Relay (1.0) Calculated Property |
| Vc | 1.763 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1549.30; 1678.74] | J/mol×K | [1140.07; 1500.62] |
|
| Cp,gas | 1672.92 | J/mol×K | 1140.07 | Joback Calculated Property |
| Cp,gas | 1678.74 | J/mol×K | 1200.16 | Joback Calculated Property |
| Cp,gas | 1674.61 | J/mol×K | 1260.25 | Joback Calculated Property |
| Cp,gas | 1660.07 | J/mol×K | 1320.34 | Joback Calculated Property |
| Cp,gas | 1634.65 | J/mol×K | 1380.44 | Joback Calculated Property |
| Cp,gas | 1597.88 | J/mol×K | 1440.53 | Joback Calculated Property |
| Cp,gas | 1549.30 | J/mol×K | 1500.62 | Joback Calculated Property |
| η | [0.0000008; 0.0000091] | Pa×s | [710.74; 1140.07] |
|
| η | 0.0000091 | Pa×s | 710.74 | Joback Calculated Property |
| η | 0.0000051 | Pa×s | 782.30 | Joback Calculated Property |
| η | 0.0000031 | Pa×s | 853.85 | Joback Calculated Property |
| η | 0.0000021 | Pa×s | 925.41 | Joback Calculated Property |
| η | 0.0000014 | Pa×s | 996.96 | Joback Calculated Property |
| η | 0.0000011 | Pa×s | 1068.52 | Joback Calculated Property |
| η | 0.0000008 | Pa×s | 1140.07 | Joback Calculated Property |
Similar Compounds
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Sources
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