- InChI
- InChI=1S/C36H72O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-38-36(37)34-32-6-4-2/h3-35H2,1-2H3
- InChI Key
- YQUUPVOQWDIUFK-UHFFFAOYSA-N
- Formula
- C36H72O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
OC(=O)CCCCC - Molecular Weight1
- 536.96
- 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 | 1.5366 | Relay (1.0) Calculated Property | |
| ΔfG° | 18.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1102.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 91.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 167.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.053 | Crippen Calculated Property | |
| McVol | 525.540 | ml/mol | McGowan Calculated Property |
| Pc | 466.89 | kPa | Joback Calculated Property |
| Inp | 3772.13 | NIST | |
| Tboil | 693.71 | K | Relay (1.0) Calculated Property |
| Tc | 875.79 | K | Relay (1.0) Calculated Property |
| Tfus | 330.17 | K | Relay (1.0) Calculated Property |
| Vc | 2.066 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1954.91; 2112.57] | J/mol×K | [1099.37; 1434.20] | 
|
| Cp,gas | 1954.91 | J/mol×K | 1099.37 | Joback Calculated Property |
| Cp,gas | 1989.00 | J/mol×K | 1155.17 | Joback Calculated Property |
| Cp,gas | 2019.47 | J/mol×K | 1210.98 | Joback Calculated Property |
| Cp,gas | 2046.69 | J/mol×K | 1266.78 | Joback Calculated Property |
| Cp,gas | 2071.04 | J/mol×K | 1322.59 | Joback Calculated Property |
| Cp,gas | 2092.87 | J/mol×K | 1378.39 | Joback Calculated Property |
| Cp,gas | 2112.57 | J/mol×K | 1434.20 | Joback Calculated Property |
| η | [0.0000064; 0.0002056] | Pa×s | [567.64; 1099.37] |
|
| η | 0.0002056 | Pa×s | 567.64 | Joback Calculated Property |
| η | 0.0000781 | Pa×s | 656.26 | Joback Calculated Property |
| η | 0.0000374 | Pa×s | 744.88 | Joback Calculated Property |
| η | 0.0000209 | Pa×s | 833.50 | Joback Calculated Property |
| η | 0.0000131 | Pa×s | 922.13 | Joback Calculated Property |
| η | 0.0000089 | Pa×s | 1010.75 | Joback Calculated Property |
| η | 0.0000064 | Pa×s | 1099.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to triacontyl hexanoate.
Sources
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