- InChI
- InChI=1S/C35H68O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-34(36)38-32-29-33-39-35(37)31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3
- InChI Key
- FBFGIPIHQQUDQF-UHFFFAOYSA-N
- Formula
- C35H68O4
- SMILES
-
CCCCCCCCCCCCCCCC(=O)OCCCOC(=O)
CCCCCCCCCCCCCCC - Molecular Weight1
- 552.91
- CAS
- 818-21-3
- Other Names
-
- Palmitic acid, trimethylene ester
- 1,3-Propanediol dipalmitate
- Hexadecanoic acid, 1,1'-(1,3-propanediyl) ester
- 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° | -224.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1255.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 91.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.82 | kJ/mol | Joback Calculated Property |
| log10WS | -12.20 | Crippen Calculated Property | |
| logPoct/wat | 11.426 | Crippen Calculated Property | |
| McVol | 518.890 | ml/mol | McGowan Calculated Property |
| Pc | 496.91 | kPa | Joback Calculated Property |
| Tboil | 1152.78 | K | Joback Calculated Property |
| Tc | 1519.56 | K | Joback Calculated Property |
| Tfus | 628.53 | K | Joback Calculated Property |
| Vc | 2.043 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1935.35; 2049.57] | J/mol×K | [1152.78; 1519.56] | 
|
| Cp,gas | 1935.35 | J/mol×K | 1152.78 | Joback Calculated Property |
| Cp,gas | 1964.52 | J/mol×K | 1213.91 | Joback Calculated Property |
| Cp,gas | 1989.12 | J/mol×K | 1275.04 | Joback Calculated Property |
| Cp,gas | 2009.54 | J/mol×K | 1336.17 | Joback Calculated Property |
| Cp,gas | 2026.17 | J/mol×K | 1397.30 | Joback Calculated Property |
| Cp,gas | 2039.39 | J/mol×K | 1458.43 | Joback Calculated Property |
| Cp,gas | 2049.57 | J/mol×K | 1519.56 | Joback Calculated Property |
| η | [0.0000050; 0.0001166] | Pa×s | [628.53; 1152.78] |
|
| η | 0.0001166 | Pa×s | 628.53 | Joback Calculated Property |
| η | 0.0000502 | Pa×s | 715.90 | Joback Calculated Property |
| η | 0.0000259 | Pa×s | 803.28 | Joback Calculated Property |
| η | 0.0000153 | Pa×s | 890.65 | Joback Calculated Property |
| η | 0.0000099 | Pa×s | 978.03 | Joback Calculated Property |
| η | 0.0000069 | Pa×s | 1065.40 | Joback Calculated Property |
| η | 0.0000050 | Pa×s | 1152.78 | Joback Calculated Property |
| ΔfusH | 133.00 | kJ/mol | 329.80 | NIST |
Similar Compounds
Find more compounds similar to Hexadecanoic acid, 1,3-propanediyl ester.
Sources
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