- InChI
- InChI=1S/C25H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-27-25(26)23-21-8-6-4-2/h21,23H,3-20,22,24H2,1-2H3/b23-21+
- InChI Key
- PZRJMITWENUEBQ-XTQSDGFTSA-N
- Formula
- C25H48O2
- SMILES
-
CCCCC=CC(=O)OCCCCCCCCCCCCCCCCC
C - Molecular Weight1
- 380.65
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 1.1072 | Relay (1.0) Calculated Property | |
| ΔfG° | 5.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -784.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.537 | Crippen Calculated Property | |
| McVol | 366.250 | ml/mol | McGowan Calculated Property |
| Pc | 807.08 | kPa | Joback Calculated Property |
| Inp | [2761.00; 2761.00] |
|
|
| Inp | 2761.00 | NIST | |
| Inp | 2761.00 | NIST | |
| Tboil | 623.91 | K | Relay (1.0) Calculated Property |
| Tc | 815.40 | K | Relay (1.0) Calculated Property |
| Tfus | 297.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.412 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1195.11; 1308.21] | J/mol×K | [851.85; 1042.93] |
|
| Cp,gas | 1195.11 | J/mol×K | 851.85 | Joback Calculated Property |
| Cp,gas | 1216.70 | J/mol×K | 883.70 | Joback Calculated Property |
| Cp,gas | 1237.13 | J/mol×K | 915.54 | Joback Calculated Property |
| Cp,gas | 1256.44 | J/mol×K | 947.39 | Joback Calculated Property |
| Cp,gas | 1274.69 | J/mol×K | 979.23 | Joback Calculated Property |
| Cp,gas | 1291.93 | J/mol×K | 1011.08 | Joback Calculated Property |
| Cp,gas | 1308.21 | J/mol×K | 1042.93 | Joback Calculated Property |
| η | [0.0000315; 0.0008783] | Pa×s | [438.59; 851.85] |
|
| η | 0.0008783 | Pa×s | 438.59 | Joback Calculated Property |
| η | 0.0003461 | Pa×s | 507.47 | Joback Calculated Property |
| η | 0.0001704 | Pa×s | 576.34 | Joback Calculated Property |
| η | 0.0000976 | Pa×s | 645.22 | Joback Calculated Property |
| η | 0.0000622 | Pa×s | 714.10 | Joback Calculated Property |
| η | 0.0000430 | Pa×s | 782.97 | Joback Calculated Property |
| η | 0.0000315 | Pa×s | 851.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Heptenoic acid, octadecyl ester.
Sources
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