- InChI
- InChI=1S/C27H52O4/c1-3-5-6-7-8-9-10-11-12-13-16-19-22-25-31-27(29)24-21-18-15-14-17-20-23-26(28)30-4-2/h3-25H2,1-2H3
- InChI Key
- GTSRNOZTCUKUIC-UHFFFAOYSA-N
- Formula
- C27H52O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCCCCCCCC
(=O)OCC - Molecular Weight1
- 440.70
- 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 | 1.2833 | Relay (1.0) Calculated Property | |
| ΔfG° | -444.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1212.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 74.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 130.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.305 | Crippen Calculated Property | |
| McVol | 406.170 | ml/mol | McGowan Calculated Property |
| Pc | 692.52 | kPa | Joback Calculated Property |
| Inp | 3149.00 | NIST | |
| Tboil | 655.68 | K | Relay (1.0) Calculated Property |
| Tc | 832.64 | K | Relay (1.0) Calculated Property |
| Tfus | 309.45 | K | Relay (1.0) Calculated Property |
| Vc | 1.592 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1390.08; 1494.96] | J/mol×K | [933.80; 1151.51] | 
|
| Cp,gas | 1390.08 | J/mol×K | 933.80 | Joback Calculated Property |
| Cp,gas | 1411.88 | J/mol×K | 970.08 | Joback Calculated Property |
| Cp,gas | 1431.89 | J/mol×K | 1006.37 | Joback Calculated Property |
| Cp,gas | 1450.14 | J/mol×K | 1042.65 | Joback Calculated Property |
| Cp,gas | 1466.69 | J/mol×K | 1078.94 | Joback Calculated Property |
| Cp,gas | 1481.62 | J/mol×K | 1115.22 | Joback Calculated Property |
| Cp,gas | 1494.96 | J/mol×K | 1151.51 | Joback Calculated Property |
| η | [0.0000141; 0.0005681] | Pa×s | [478.71; 933.80] |
|
| η | 0.0005681 | Pa×s | 478.71 | Joback Calculated Property |
| η | 0.0002013 | Pa×s | 554.56 | Joback Calculated Property |
| η | 0.0000915 | Pa×s | 630.41 | Joback Calculated Property |
| η | 0.0000493 | Pa×s | 706.25 | Joback Calculated Property |
| η | 0.0000299 | Pa×s | 782.10 | Joback Calculated Property |
| η | 0.0000199 | Pa×s | 857.95 | Joback Calculated Property |
| η | 0.0000141 | Pa×s | 933.80 | Joback Calculated Property |
Similar Compounds
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Sources
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