- InChI
- InChI=1S/C30H56O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-30(31)32-27-26-29(4)24-22-23-28(2)3/h23,26H,5-22,24-25,27H2,1-4H3/b29-26+
- InChI Key
- BEDGRFXPXOLZFD-PBBVDAKRSA-N
- Formula
- C30H56O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCC(=O)OCC=C(
C)CCC=C(C)C - Molecular Weight1
- 448.76
- CAS
- 467252-74-0
- 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).
- 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° | 111.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -692.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 74.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.61 | kJ/mol | Joback Calculated Property |
| log10WS | -10.95 | Crippen Calculated Property | |
| logPoct/wat | 10.264 | Crippen Calculated Property | |
| McVol | 432.400 | ml/mol | McGowan Calculated Property |
| Pc | 644.83 | kPa | Joback Calculated Property |
| Inp | [3156.50; 3156.50] |
|
|
| Inp | 3156.50 | NIST | |
| Inp | 3156.50 | NIST | |
| Tboil | 970.17 | K | Joback Calculated Property |
| Tc | 1195.95 | K | Joback Calculated Property |
| Tfus | 461.94 | K | Joback Calculated Property |
| Vc | 1.702 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1493.25; 1622.00] | J/mol×K | [970.17; 1195.95] |
|
| Cp,gas | 1493.25 | J/mol×K | 970.17 | Joback Calculated Property |
| Cp,gas | 1517.85 | J/mol×K | 1007.80 | Joback Calculated Property |
| Cp,gas | 1541.03 | J/mol×K | 1045.43 | Joback Calculated Property |
| Cp,gas | 1562.91 | J/mol×K | 1083.06 | Joback Calculated Property |
| Cp,gas | 1583.62 | J/mol×K | 1120.69 | Joback Calculated Property |
| Cp,gas | 1603.27 | J/mol×K | 1158.32 | Joback Calculated Property |
| Cp,gas | 1622.00 | J/mol×K | 1195.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-3,7-Dimethylocta-2,6-dien-1-yl icosanoate.
Sources
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