- InChI
- InChI=1S/C26H46O4/c1-5-7-9-14-17-21-29-25(27)19-15-12-10-11-13-16-20-26(28)30-24(18-8-6-2)22-23(3)4/h23-24H,5-7,9-17,19-22H2,1-4H3
- InChI Key
- GLVPXUHDTOKNHL-UHFFFAOYSA-N
- Formula
- C26H46O4
- SMILES
-
CCC#CC(CC(C)C)OC(=O)CCCCCCCCC(
=O)OCCCCCCC - Molecular Weight1
- 422.64
- 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° | -101.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -807.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.16 | kJ/mol | Joback Calculated Property |
| log10WS | -8.10 | Crippen Calculated Property | |
| logPoct/wat | 6.992 | Crippen Calculated Property | |
| McVol | 383.480 | ml/mol | McGowan Calculated Property |
| Pc | 842.11 | kPa | Joback Calculated Property |
| Inp | 2799.00 | NIST | |
| Tboil | 954.98 | K | Joback Calculated Property |
| Tc | 1169.90 | K | Joback Calculated Property |
| Tfus | 603.20 | K | Joback Calculated Property |
| Vc | 1.490 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1291.58; 1385.42] | J/mol×K | [954.98; 1169.90] | 
|
| Cp,gas | 1291.58 | J/mol×K | 954.98 | Joback Calculated Property |
| Cp,gas | 1310.96 | J/mol×K | 990.80 | Joback Calculated Property |
| Cp,gas | 1328.79 | J/mol×K | 1026.62 | Joback Calculated Property |
| Cp,gas | 1345.11 | J/mol×K | 1062.44 | Joback Calculated Property |
| Cp,gas | 1359.96 | J/mol×K | 1098.26 | Joback Calculated Property |
| Cp,gas | 1373.38 | J/mol×K | 1134.08 | Joback Calculated Property |
| Cp,gas | 1385.42 | J/mol×K | 1169.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, heptyl 2-methyloct-5-yn-4-yl ester.
Sources
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