- InChI
- InChI=1S/C25H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-29-25(27)23-20-17-16-19-22(23)24(26)28-2/h16-17,19-20H,3-15,18,21H2,1-2H3
- InChI Key
- CPCNZWLOGJACQU-UHFFFAOYSA-N
- Formula
- C25H40O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)c1ccccc1
C(=O)OC - Molecular Weight1
- 404.58
- CAS
- 101762-77-0
- Other Names
-
- 1,2-Benzenedicarboxylic acid, hexadecyl methyl ester
- Phthalic acid, hexadecyl methyl 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -205.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -823.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.49 | kJ/mol | Joback Calculated Property |
| log10WS | -8.24 | Crippen Calculated Property | |
| logPoct/wat | 7.111 | Crippen Calculated Property | |
| McVol | 354.230 | ml/mol | McGowan Calculated Property |
| Pc | 970.49 | kPa | Joback Calculated Property |
| Inp | 2962.00 | NIST | |
| Tboil | 955.64 | K | Joback Calculated Property |
| Tc | 1169.97 | K | Joback Calculated Property |
| Tfus | 554.77 | K | Joback Calculated Property |
| Vc | 1.375 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1181.32; 1264.21] | J/mol×K | [955.64; 1169.97] | 
|
| Cp,gas | 1181.32 | J/mol×K | 955.64 | Joback Calculated Property |
| Cp,gas | 1198.61 | J/mol×K | 991.36 | Joback Calculated Property |
| Cp,gas | 1214.46 | J/mol×K | 1027.08 | Joback Calculated Property |
| Cp,gas | 1228.89 | J/mol×K | 1062.81 | Joback Calculated Property |
| Cp,gas | 1241.97 | J/mol×K | 1098.53 | Joback Calculated Property |
| Cp,gas | 1253.73 | J/mol×K | 1134.25 | Joback Calculated Property |
| Cp,gas | 1264.21 | J/mol×K | 1169.97 | Joback Calculated Property |
| η | [0.0000265; 0.0003423] | Pa×s | [554.77; 955.64] |
|
| η | 0.0003423 | Pa×s | 554.77 | Joback Calculated Property |
| η | 0.0001777 | Pa×s | 621.58 | Joback Calculated Property |
| η | 0.0001048 | Pa×s | 688.39 | Joback Calculated Property |
| η | 0.0000678 | Pa×s | 755.20 | Joback Calculated Property |
| η | 0.0000471 | Pa×s | 822.02 | Joback Calculated Property |
| η | 0.0000346 | Pa×s | 888.83 | Joback Calculated Property |
| η | 0.0000265 | Pa×s | 955.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexadecyl methyl phthalate.
Sources
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