- InChI
- InChI=1S/C25H34O4/c1-2-3-12-19-28-24(26)15-8-6-4-5-7-9-16-25(27)29-23-18-17-21-13-10-11-14-22(21)20-23/h10-11,13-14,17-18,20H,2-9,12,15-16,19H2,1H3
- InChI Key
- IBQJLLQTVBLMIT-UHFFFAOYSA-N
- Formula
- C25H34O4
- SMILES
-
CCCCCOC(=O)CCCCCCCCC(=O)Oc1ccc
2ccccc2c1 - Molecular Weight1
- 398.54
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -98.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -632.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.13 | kJ/mol | Joback Calculated Property |
| log10WS | -7.89 | Crippen Calculated Property | |
| logPoct/wat | 6.599 | Crippen Calculated Property | |
| McVol | 334.770 | ml/mol | McGowan Calculated Property |
| Pc | 1137.50 | kPa | Joback Calculated Property |
| Inp | [3314.00; 3314.00] |
|
|
| Inp | 3314.00 | NIST | |
| Inp | 3314.00 | NIST | |
| Tboil | 974.62 | K | Joback Calculated Property |
| Tc | 1194.68 | K | Joback Calculated Property |
| Tfus | 587.47 | K | Joback Calculated Property |
| Vc | 1.298 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1100.84; 1178.00] | J/mol×K | [974.62; 1194.68] |
|
| Cp,gas | 1100.84 | J/mol×K | 974.62 | Joback Calculated Property |
| Cp,gas | 1116.48 | J/mol×K | 1011.30 | Joback Calculated Property |
| Cp,gas | 1130.91 | J/mol×K | 1047.97 | Joback Calculated Property |
| Cp,gas | 1144.21 | J/mol×K | 1084.65 | Joback Calculated Property |
| Cp,gas | 1156.45 | J/mol×K | 1121.33 | Joback Calculated Property |
| Cp,gas | 1167.69 | J/mol×K | 1158.00 | Joback Calculated Property |
| Cp,gas | 1178.00 | J/mol×K | 1194.68 | Joback Calculated Property |
| η | [0.0000552; 0.0004444] | Pa×s | [587.47; 974.62] |
|
| η | 0.0004444 | Pa×s | 587.47 | Joback Calculated Property |
| η | 0.0002642 | Pa×s | 652.00 | Joback Calculated Property |
| η | 0.0001726 | Pa×s | 716.52 | Joback Calculated Property |
| η | 0.0001209 | Pa×s | 781.05 | Joback Calculated Property |
| η | 0.0000894 | Pa×s | 845.57 | Joback Calculated Property |
| η | 0.0000690 | Pa×s | 910.10 | Joback Calculated Property |
| η | 0.0000552 | Pa×s | 974.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2-naphthyl pentyl ester.
Sources
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