- InChI
- InChI=1S/C27H50O5/c1-2-3-4-5-6-7-8-11-14-17-22-31-26(28)20-15-12-9-10-13-16-21-27(29)32-24-25-19-18-23-30-25/h25H,2-24H2,1H3
- InChI Key
- KPNZWADOJDRTKF-UHFFFAOYSA-N
- Formula
- C27H50O5
- SMILES
-
CCCCCCCCCCCCOC(=O)CCCCCCCCC(=O
)OCC1CCCO1 - Molecular Weight1
- 454.68
- 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 | 1.2524 | Relay (1.0) Calculated Property | |
| ΔfG° | -340.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1274.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 73.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.293 | Crippen Calculated Property | |
| McVol | 401.180 | ml/mol | McGowan Calculated Property |
| Pc | 794.84 | kPa | Joback Calculated Property |
| Inp | [3318.00; 3318.00] |
|
|
| Inp | 3318.00 | NIST | |
| Inp | 3318.00 | NIST | |
| Tboil | 691.81 | K | Relay (1.0) Calculated Property |
| Tc | 872.72 | K | Relay (1.0) Calculated Property |
| Tfus | 303.31 | K | Relay (1.0) Calculated Property |
| Vc | 1.549 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1436.71; 1530.51] | J/mol×K | [1011.97; 1246.67] |
|
| Cp,gas | 1436.71 | J/mol×K | 1011.97 | Joback Calculated Property |
| Cp,gas | 1456.88 | J/mol×K | 1051.09 | Joback Calculated Property |
| Cp,gas | 1475.14 | J/mol×K | 1090.20 | Joback Calculated Property |
| Cp,gas | 1491.55 | J/mol×K | 1129.32 | Joback Calculated Property |
| Cp,gas | 1506.20 | J/mol×K | 1168.44 | Joback Calculated Property |
| Cp,gas | 1519.16 | J/mol×K | 1207.56 | Joback Calculated Property |
| Cp,gas | 1530.51 | J/mol×K | 1246.67 | Joback Calculated Property |
| η | [0.0000233; 0.0003794] | Pa×s | [575.84; 1011.97] |
|
| η | 0.0003794 | Pa×s | 575.84 | Joback Calculated Property |
| η | 0.0001837 | Pa×s | 648.53 | Joback Calculated Property |
| η | 0.0001029 | Pa×s | 721.22 | Joback Calculated Property |
| η | 0.0000641 | Pa×s | 793.90 | Joback Calculated Property |
| η | 0.0000432 | Pa×s | 866.59 | Joback Calculated Property |
| η | 0.0000310 | Pa×s | 939.28 | Joback Calculated Property |
| η | 0.0000233 | Pa×s | 1011.97 | Joback Calculated Property |
Similar Compounds
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Sources
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