- InChI
- InChI=1S/C29H54O5/c1-2-3-4-5-6-7-8-9-10-13-16-19-24-33-28(30)22-17-14-11-12-15-18-23-29(31)34-26-27-21-20-25-32-27/h27H,2-26H2,1H3
- InChI Key
- JHCFILMPRSKGKK-UHFFFAOYSA-N
- Formula
- C29H54O5
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CCCCCCCCC(
=O)OCC1CCCO1 - Molecular Weight1
- 482.74
- 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 | 1.3225 | Relay (1.0) Calculated Property | |
| ΔfG° | -324.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1313.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 78.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 140.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.074 | Crippen Calculated Property | |
| McVol | 429.360 | ml/mol | McGowan Calculated Property |
| Pc | 715.30 | kPa | Joback Calculated Property |
| Inp | 3548.00 | NIST | |
| Tboil | 704.49 | K | Relay (1.0) Calculated Property |
| Tc | 885.34 | K | Relay (1.0) Calculated Property |
| Tfus | 308.57 | K | Relay (1.0) Calculated Property |
| Vc | 1.659 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1565.71; 1660.49] | J/mol×K | [1057.73; 1314.07] | 
|
| Cp,gas | 1565.71 | J/mol×K | 1057.73 | Joback Calculated Property |
| Cp,gas | 1586.84 | J/mol×K | 1100.45 | Joback Calculated Property |
| Cp,gas | 1605.69 | J/mol×K | 1143.18 | Joback Calculated Property |
| Cp,gas | 1622.37 | J/mol×K | 1185.90 | Joback Calculated Property |
| Cp,gas | 1636.99 | J/mol×K | 1228.62 | Joback Calculated Property |
| Cp,gas | 1649.66 | J/mol×K | 1271.35 | Joback Calculated Property |
| Cp,gas | 1660.49 | J/mol×K | 1314.07 | Joback Calculated Property |
| η | [0.0000169; 0.0002904] | Pa×s | [598.38; 1057.73] |
|
| η | 0.0002904 | Pa×s | 598.38 | Joback Calculated Property |
| η | 0.0001383 | Pa×s | 674.94 | Joback Calculated Property |
| η | 0.0000766 | Pa×s | 751.50 | Joback Calculated Property |
| η | 0.0000473 | Pa×s | 828.06 | Joback Calculated Property |
| η | 0.0000317 | Pa×s | 904.61 | Joback Calculated Property |
| η | 0.0000226 | Pa×s | 981.17 | Joback Calculated Property |
| η | 0.0000169 | Pa×s | 1057.73 | Joback Calculated Property |
Similar Compounds
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Sources
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