- InChI
- InChI=1S/C27H48O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-30-26(28)22-23-27(29)31-25(6-3)21-5-2/h25H,4,6-20,22-24H2,1-3H3
- InChI Key
- LMJQGWOQAMWLDJ-UHFFFAOYSA-N
- Formula
- C27H48O4
- SMILES
-
CC#CC(CC)OC(=O)CCC(=O)OCCCCCCC
CCCCCCCCCC - Molecular Weight1
- 436.67
- 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 | 1.1365 | Relay (1.0) Calculated Property | |
| ΔfG° | -91.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -938.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.526 | Crippen Calculated Property | |
| McVol | 397.570 | ml/mol | McGowan Calculated Property |
| Pc | 793.49 | kPa | Joback Calculated Property |
| Inp | [3034.00; 3034.00] |
|
|
| Inp | 3034.00 | NIST | |
| Inp | 3034.00 | NIST | |
| Tboil | 648.10 | K | Relay (1.0) Calculated Property |
| Tc | 844.23 | K | Relay (1.0) Calculated Property |
| Tfus | 326.80 | K | Relay (1.0) Calculated Property |
| Vc | 1.488 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1354.91; 1450.23] | J/mol×K | [978.30; 1201.23] |
|
| Cp,gas | 1354.91 | J/mol×K | 978.30 | Joback Calculated Property |
| Cp,gas | 1374.81 | J/mol×K | 1015.46 | Joback Calculated Property |
| Cp,gas | 1393.05 | J/mol×K | 1052.61 | Joback Calculated Property |
| Cp,gas | 1409.66 | J/mol×K | 1089.77 | Joback Calculated Property |
| Cp,gas | 1424.69 | J/mol×K | 1126.92 | Joback Calculated Property |
| Cp,gas | 1438.20 | J/mol×K | 1164.08 | Joback Calculated Property |
| Cp,gas | 1450.23 | J/mol×K | 1201.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hex-4-yn-3-yl heptadecyl ester.
Sources
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