- InChI
- InChI=1S/C36H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35(37)39-33-29-30-34-40-36(38)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3
- InChI Key
- UXPYIAWFQKSHNV-UHFFFAOYSA-N
- Formula
- C36H70O4
- SMILES
-
CCCCCCCCCCCCCCCC(=O)OCCCCOC(=O
)CCCCCCCCCCCCCCC - Molecular Weight1
- 566.94
- CAS
- 26719-63-1
- Other Names
-
- Palmitic acid, tetramethylene ester
- 1,4-Butanediol dipalmitate
- Di-O-palmitoylbutane-1,4-diol
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 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 | 1.6138 | Relay (1.0) Calculated Property | |
| ΔfG° | -215.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1387.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 94.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 160.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.816 | Crippen Calculated Property | |
| McVol | 532.980 | ml/mol | McGowan Calculated Property |
| Pc | 476.31 | kPa | Joback Calculated Property |
| Tboil | 715.34 | K | Relay (1.0) Calculated Property |
| Tc | 881.15 | K | Relay (1.0) Calculated Property |
| Tfus | 333.37 | K | Relay (1.0) Calculated Property |
| Vc | 2.082 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2001.75; 2116.07] | J/mol×K | [1175.66; 1569.32] | 
|
| Cp,gas | 2001.75 | J/mol×K | 1175.66 | Joback Calculated Property |
| Cp,gas | 2032.02 | J/mol×K | 1241.27 | Joback Calculated Property |
| Cp,gas | 2057.15 | J/mol×K | 1306.88 | Joback Calculated Property |
| Cp,gas | 2077.63 | J/mol×K | 1372.49 | Joback Calculated Property |
| Cp,gas | 2093.95 | J/mol×K | 1438.10 | Joback Calculated Property |
| Cp,gas | 2106.60 | J/mol×K | 1503.71 | Joback Calculated Property |
| Cp,gas | 2116.07 | J/mol×K | 1569.32 | Joback Calculated Property |
| η | [0.0000043; 0.0001005] | Pa×s | [639.80; 1175.66] |
|
| η | 0.0001005 | Pa×s | 639.80 | Joback Calculated Property |
| η | 0.0000430 | Pa×s | 729.11 | Joback Calculated Property |
| η | 0.0000221 | Pa×s | 818.42 | Joback Calculated Property |
| η | 0.0000130 | Pa×s | 907.73 | Joback Calculated Property |
| η | 0.0000084 | Pa×s | 997.04 | Joback Calculated Property |
| η | 0.0000058 | Pa×s | 1086.35 | Joback Calculated Property |
| η | 0.0000043 | Pa×s | 1175.66 | Joback Calculated Property |
| ΔfusH | 162.40 | kJ/mol | 339.00 | NIST |
Similar Compounds
Find more compounds similar to Hexadecanoic acid, 1,4-butanediyl ester.
Sources
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