- InChI
- InChI=1S/C26H38O4/c1-3-5-6-7-8-9-10-11-12-13-17-22-29-25(27)20-21-26(28)30-24(4-2)23-18-15-14-16-19-23/h14-16,18-19,24H,3-12,20-22H2,1-2H3
- InChI Key
- BDEYEIUWEBAEBW-UHFFFAOYSA-N
- Formula
- C26H38O4
- SMILES
-
CCCCCCCCCCC#CCOC(=O)CCC(=O)OC(
CC)c1ccccc1 - Molecular Weight1
- 414.58
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 1.0188 | Relay (1.0) Calculated Property | |
| ΔfG° | 12.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -690.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.538 | Crippen Calculated Property | |
| McVol | 359.720 | ml/mol | McGowan Calculated Property |
| Pc | 1025.31 | kPa | Joback Calculated Property |
| Inp | [2920.00; 2920.00] |
|
|
| Inp | 2920.00 | NIST | |
| Inp | 2920.00 | NIST | |
| Tboil | 658.92 | K | Relay (1.0) Calculated Property |
| Tc | 883.41 | K | Relay (1.0) Calculated Property |
| Tfus | 307.50 | K | Relay (1.0) Calculated Property |
| Vc | 1.299 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1188.48; 1265.84] | J/mol×K | [982.10; 1203.17] |
|
| Cp,gas | 1188.48 | J/mol×K | 982.10 | Joback Calculated Property |
| Cp,gas | 1204.86 | J/mol×K | 1018.94 | Joback Calculated Property |
| Cp,gas | 1219.78 | J/mol×K | 1055.79 | Joback Calculated Property |
| Cp,gas | 1233.28 | J/mol×K | 1092.63 | Joback Calculated Property |
| Cp,gas | 1245.43 | J/mol×K | 1129.48 | Joback Calculated Property |
| Cp,gas | 1256.26 | J/mol×K | 1166.32 | Joback Calculated Property |
| Cp,gas | 1265.84 | J/mol×K | 1203.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, tridec-2-yn-1-yl 1-phenylpropyl ester.
Sources
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