- InChI
- InChI=1S/C29H48O4/c1-2-3-4-5-6-7-8-9-12-15-21-26-32-28(30)24-19-13-10-11-14-20-25-29(31)33-27-22-17-16-18-23-27/h16-18,22-23H,2-15,19-21,24-26H2,1H3
- InChI Key
- NHSFASKMGGHWQA-UHFFFAOYSA-N
- Formula
- C29H48O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)CCCCCCCCC(=
O)Oc1ccccc1 - Molecular Weight1
- 460.69
- 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 | 1.3197 | Relay (1.0) Calculated Property | |
| ΔfG° | -162.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1010.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.567 | Crippen Calculated Property | |
| McVol | 410.590 | ml/mol | McGowan Calculated Property |
| Pc | 780.69 | kPa | Joback Calculated Property |
| Inp | [3500.00; 3500.00] |
|
|
| Inp | 3500.00 | NIST | |
| Inp | 3500.00 | NIST | |
| Tboil | 691.22 | K | Relay (1.0) Calculated Property |
| Tc | 894.55 | K | Relay (1.0) Calculated Property |
| Tfus | 324.02 | K | Relay (1.0) Calculated Property |
| Vc | 1.561 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1433.72; 1520.37] | J/mol×K | [1042.18; 1284.65] |
|
| Cp,gas | 1433.72 | J/mol×K | 1042.18 | Joback Calculated Property |
| Cp,gas | 1452.53 | J/mol×K | 1082.59 | Joback Calculated Property |
| Cp,gas | 1469.48 | J/mol×K | 1123.00 | Joback Calculated Property |
| Cp,gas | 1484.64 | J/mol×K | 1163.41 | Joback Calculated Property |
| Cp,gas | 1498.12 | J/mol×K | 1203.83 | Joback Calculated Property |
| Cp,gas | 1510.00 | J/mol×K | 1244.24 | Joback Calculated Property |
| Cp,gas | 1520.37 | J/mol×K | 1284.65 | Joback Calculated Property |
| η | [0.0000139; 0.0002365] | Pa×s | [587.33; 1042.18] |
|
| η | 0.0002365 | Pa×s | 587.33 | Joback Calculated Property |
| η | 0.0001126 | Pa×s | 663.14 | Joback Calculated Property |
| η | 0.0000625 | Pa×s | 738.95 | Joback Calculated Property |
| η | 0.0000387 | Pa×s | 814.75 | Joback Calculated Property |
| η | 0.0000260 | Pa×s | 890.56 | Joback Calculated Property |
| η | 0.0000186 | Pa×s | 966.37 | Joback Calculated Property |
| η | 0.0000139 | Pa×s | 1042.18 | Joback Calculated Property |
Similar Compounds
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Sources
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