- InChI
- InChI=1S/C27H46O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-21-29-27(28)24(4)26-19-17-25(18-20-26)22-23(2)3/h17-20,23-24H,5-16,21-22H2,1-4H3
- InChI Key
- NXSBXGGCVHHBSY-UHFFFAOYSA-N
- Formula
- C27H46O2
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C(C)c1ccc(
CC(C)C)cc1 - Molecular Weight1
- 402.65
- 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 | 1.0675 | Relay (1.0) Calculated Property | |
| ΔfG° | 40.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -718.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.233 | Crippen Calculated Property | |
| McVol | 374.970 | ml/mol | McGowan Calculated Property |
| Pc | 849.00 | kPa | Joback Calculated Property |
| Inp | [1985.00; 1985.00] |
|
|
| Inp | 1985.00 | NIST | |
| Inp | 1985.00 | NIST | |
| Tboil | 654.28 | K | Relay (1.0) Calculated Property |
| Tc | 866.07 | K | Relay (1.0) Calculated Property |
| Tfus | 304.07 | K | Relay (1.0) Calculated Property |
| Vc | 1.408 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1256.89; 1358.46] | J/mol×K | [924.23; 1131.73] |
|
| Cp,gas | 1256.89 | J/mol×K | 924.23 | Joback Calculated Property |
| Cp,gas | 1277.08 | J/mol×K | 958.81 | Joback Calculated Property |
| Cp,gas | 1295.88 | J/mol×K | 993.40 | Joback Calculated Property |
| Cp,gas | 1313.35 | J/mol×K | 1027.98 | Joback Calculated Property |
| Cp,gas | 1329.57 | J/mol×K | 1062.57 | Joback Calculated Property |
| Cp,gas | 1344.59 | J/mol×K | 1097.15 | Joback Calculated Property |
| Cp,gas | 1358.46 | J/mol×K | 1131.73 | Joback Calculated Property |
| η | [0.0000234; 0.0006680] | Pa×s | [475.15; 924.23] |
|
| η | 0.0006680 | Pa×s | 475.15 | Joback Calculated Property |
| η | 0.0002612 | Pa×s | 550.00 | Joback Calculated Property |
| η | 0.0001279 | Pa×s | 624.84 | Joback Calculated Property |
| η | 0.0000729 | Pa×s | 699.69 | Joback Calculated Property |
| η | 0.0000464 | Pa×s | 774.54 | Joback Calculated Property |
| η | 0.0000319 | Pa×s | 849.38 | Joback Calculated Property |
| η | 0.0000234 | Pa×s | 924.23 | Joback Calculated Property |
Similar Compounds
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Sources
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