- InChI
- InChI=1S/C39H76O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-38(40)42-36-33-37-43-39(41)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3
- InChI Key
- UFASAALQMYZBEM-UHFFFAOYSA-N
- Formula
- C39H76O4
- SMILES
-
CCCCCCCCCCCCCCCCCC(=O)OCCCOC(=
O)CCCCCCCCCCCCCCCCC - Molecular Weight1
- 609.02
- CAS
- 17367-44-1
- Other Names
-
- Stearic acid, trimethylene ester
- 1,3-Di-O-octadecanoylpropanediol
- 1,3-Propanediol, distearate
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -190.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1337.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 102.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.72 | kJ/mol | Joback Calculated Property |
| log10WS | -13.87 | Crippen Calculated Property | |
| logPoct/wat | 12.986 | Crippen Calculated Property | |
| McVol | 575.250 | ml/mol | McGowan Calculated Property |
| Pc | 421.64 | kPa | Joback Calculated Property |
| Tboil | 1244.30 | K | Joback Calculated Property |
| Tc | 1736.77 | K | Joback Calculated Property |
| Tfus | 673.61 | K | Joback Calculated Property |
| Vc | 2.268 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2201.29; 2316.22] | J/mol×K | [1244.30; 1736.77] | 
|
| Cp,gas | 2201.29 | J/mol×K | 1244.30 | Joback Calculated Property |
| Cp,gas | 2235.18 | J/mol×K | 1326.38 | Joback Calculated Property |
| Cp,gas | 2261.74 | J/mol×K | 1408.46 | Joback Calculated Property |
| Cp,gas | 2282.04 | J/mol×K | 1490.54 | Joback Calculated Property |
| Cp,gas | 2297.17 | J/mol×K | 1572.61 | Joback Calculated Property |
| Cp,gas | 2308.21 | J/mol×K | 1654.69 | Joback Calculated Property |
| Cp,gas | 2316.22 | J/mol×K | 1736.77 | Joback Calculated Property |
| η | [0.0000026; 0.0000638] | Pa×s | [673.61; 1244.30] |
|
| η | 0.0000638 | Pa×s | 673.61 | Joback Calculated Property |
| η | 0.0000268 | Pa×s | 768.73 | Joback Calculated Property |
| η | 0.0000136 | Pa×s | 863.84 | Joback Calculated Property |
| η | 0.0000079 | Pa×s | 958.95 | Joback Calculated Property |
| η | 0.0000051 | Pa×s | 1054.07 | Joback Calculated Property |
| η | 0.0000035 | Pa×s | 1149.18 | Joback Calculated Property |
| η | 0.0000026 | Pa×s | 1244.30 | Joback Calculated Property |
| ΔfusH | 110.00 | kJ/mol | 329.80 | NIST |
Similar Compounds
Find more compounds similar to Octadecanoic acid, 1,3-propanediyl ester.
Sources
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