- InChI
- InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24(25)26-22-23-19-16-15-17-20-23/h15-17,19-20H,2-14,18,21-22H2,1H3
- InChI Key
- XFIKDNCHPGLFLR-UHFFFAOYSA-N
- Formula
- C24H40O2
- SMILES
-
CCCCCCCCCCCCCCCCC(=O)OCc1ccccc
1 - Molecular Weight1
- 360.57
- CAS
- 74978-19-1
- Other Names
-
- Benzyl heptadecanoate
- 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).
- 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° | 29.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -546.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.45 | kJ/mol | Joback Calculated Property |
| log10WS | -8.33 | Crippen Calculated Property | |
| logPoct/wat | 7.601 | Crippen Calculated Property | |
| McVol | 332.700 | ml/mol | McGowan Calculated Property |
| Pc | 1011.02 | kPa | Joback Calculated Property |
| Tboil | 851.49 | K | Joback Calculated Property |
| Tc | 1046.47 | K | Joback Calculated Property |
| Tfus | 458.82 | K | Joback Calculated Property |
| Vc | 1.296 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1067.64; 1166.66] | J/mol×K | [851.49; 1046.47] | 
|
| Cp,gas | 1067.64 | J/mol×K | 851.49 | Joback Calculated Property |
| Cp,gas | 1086.92 | J/mol×K | 883.99 | Joback Calculated Property |
| Cp,gas | 1105.03 | J/mol×K | 916.48 | Joback Calculated Property |
| Cp,gas | 1122.01 | J/mol×K | 948.98 | Joback Calculated Property |
| Cp,gas | 1137.91 | J/mol×K | 981.47 | Joback Calculated Property |
| Cp,gas | 1152.77 | J/mol×K | 1013.97 | Joback Calculated Property |
| Cp,gas | 1166.66 | J/mol×K | 1046.47 | Joback Calculated Property |
| η | [0.0000427; 0.0008470] | Pa×s | [458.82; 851.49] |
|
| η | 0.0008470 | Pa×s | 458.82 | Joback Calculated Property |
| η | 0.0003773 | Pa×s | 524.26 | Joback Calculated Property |
| η | 0.0002011 | Pa×s | 589.71 | Joback Calculated Property |
| η | 0.0001216 | Pa×s | 655.15 | Joback Calculated Property |
| η | 0.0000805 | Pa×s | 720.60 | Joback Calculated Property |
| η | 0.0000571 | Pa×s | 786.04 | Joback Calculated Property |
| η | 0.0000427 | Pa×s | 851.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecanoic acid, phenylmethyl ester.
Sources
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