- InChI
- InChI=1S/C26H38O4/c1-3-5-7-8-9-10-11-12-13-14-16-21-30-26(28)24-19-17-18-23(22-24)25(27)29-20-15-6-4-2/h17-19,22H,3-13,15,20-21H2,1-2H3
- InChI Key
- QZPNOOOSVJECST-UHFFFAOYSA-N
- Formula
- C26H38O4
- SMILES
-
CCCCCCCCCCC#CCOC(=O)c1cccc(C(=
O)OCCCCC)c1 - Molecular Weight1
- 414.58
- 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° | 5.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -572.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.87 | kJ/mol | Joback Calculated Property |
| log10WS | -8.45 | Crippen Calculated Property | |
| logPoct/wat | 6.725 | Crippen Calculated Property | |
| McVol | 359.720 | ml/mol | McGowan Calculated Property |
| Pc | 1010.37 | kPa | Joback Calculated Property |
| Inp | [3181.00; 3181.00] |
|
|
| Inp | 3181.00 | NIST | |
| Inp | 3181.00 | NIST | |
| Tboil | 987.52 | K | Joback Calculated Property |
| Tc | 1209.32 | K | Joback Calculated Property |
| Tfus | 672.14 | K | Joback Calculated Property |
| Vc | 1.393 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1187.38; 1263.78] | J/mol×K | [987.52; 1209.32] |
|
| Cp,gas | 1187.38 | J/mol×K | 987.52 | Joback Calculated Property |
| Cp,gas | 1203.66 | J/mol×K | 1024.49 | Joback Calculated Property |
| Cp,gas | 1218.47 | J/mol×K | 1061.45 | Joback Calculated Property |
| Cp,gas | 1231.84 | J/mol×K | 1098.42 | Joback Calculated Property |
| Cp,gas | 1243.81 | J/mol×K | 1135.39 | Joback Calculated Property |
| Cp,gas | 1254.45 | J/mol×K | 1172.35 | Joback Calculated Property |
| Cp,gas | 1263.78 | J/mol×K | 1209.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, pentyl tridec-2-ynyl ester.
Sources
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