- InChI
- InChI=1S/C38H64O2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,28,30H,3-10,15-16,21,23,25-27,29,31-37H2,1-2H3/b13-11-,14-12+,19-17-,20-18+,24-22-,30-28-
- InChI Key
- BMVIOBOTDSTLAP-CEJABHJLSA-N
- Formula
- C38H64O2
- SMILES
-
CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC
CCCCCCCC=CCC=CCCCCC - Molecular Weight1
- 552.91
- 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 | 1.1398 | Relay (1.0) Calculated Property | |
| ΔfG° | 516.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -828.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 98.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 167.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.489 | Crippen Calculated Property | |
| McVol | 527.920 | ml/mol | McGowan Calculated Property |
| Pc | 492.08 | kPa | Joback Calculated Property |
| Inp | 3833.01 | NIST | |
| Tboil | 722.97 | K | Relay (1.0) Calculated Property |
| Tc | 903.56 | K | Relay (1.0) Calculated Property |
| Tfus | 284.07 | K | Relay (1.0) Calculated Property |
| Vc | 1.816 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1929.68; 2174.65] | J/mol×K | [1170.09; 1498.76] | 
|
| Cp,gas | 1929.68 | J/mol×K | 1170.09 | Joback Calculated Property |
| Cp,gas | 1968.12 | J/mol×K | 1224.87 | Joback Calculated Property |
| Cp,gas | 2006.64 | J/mol×K | 1279.65 | Joback Calculated Property |
| Cp,gas | 2045.90 | J/mol×K | 1334.42 | Joback Calculated Property |
| Cp,gas | 2086.56 | J/mol×K | 1389.20 | Joback Calculated Property |
| Cp,gas | 2129.25 | J/mol×K | 1443.98 | Joback Calculated Property |
| Cp,gas | 2174.65 | J/mol×K | 1498.76 | Joback Calculated Property |
| η | [0.0000022; 0.0001020] | Pa×s | [559.70; 1170.09] |
|
| η | 0.0001020 | Pa×s | 559.70 | Joback Calculated Property |
| η | 0.0000329 | Pa×s | 661.43 | Joback Calculated Property |
| η | 0.0000144 | Pa×s | 763.16 | Joback Calculated Property |
| η | 0.0000076 | Pa×s | 864.90 | Joback Calculated Property |
| η | 0.0000046 | Pa×s | 966.63 | Joback Calculated Property |
| η | 0.0000031 | Pa×s | 1068.36 | Joback Calculated Property |
| η | 0.0000022 | Pa×s | 1170.09 | Joback Calculated Property |
Similar Compounds
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Sources
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