- InChI
- InChI=1S/C25H40O4/c1-2-3-4-14-21-28-24(26)19-12-7-5-6-8-13-20-25(27)29-22-15-18-23-16-10-9-11-17-23/h9-11,16-17H,2-8,12-15,18-22H2,1H3
- InChI Key
- FOKNLCXBWODNGX-UHFFFAOYSA-N
- Formula
- C25H40O4
- SMILES
-
CCCCCCOC(=O)CCCCCCCCC(=O)OCCCc
1ccccc1 - Molecular Weight1
- 404.58
- ω : Acentric Factor.
- 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).
- 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 | 1.1483 | Relay (1.0) Calculated Property | |
| ΔfG° | -348.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -928.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.407 | Crippen Calculated Property | |
| McVol | 354.230 | ml/mol | McGowan Calculated Property |
| Pc | 931.21 | kPa | Joback Calculated Property |
| Inp | 3090.00 | NIST | |
| Tboil | 679.04 | K | Relay (1.0) Calculated Property |
| Tc | 866.63 | K | Relay (1.0) Calculated Property |
| Tfus | 293.19 | K | Relay (1.0) Calculated Property |
| Vc | 1.345 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1166.03; 1249.96] | J/mol×K | [914.72; 1120.16] | 
|
| Cp,gas | 1166.03 | J/mol×K | 914.72 | Joback Calculated Property |
| Cp,gas | 1183.47 | J/mol×K | 948.96 | Joback Calculated Property |
| Cp,gas | 1199.46 | J/mol×K | 983.20 | Joback Calculated Property |
| Cp,gas | 1214.06 | J/mol×K | 1017.44 | Joback Calculated Property |
| Cp,gas | 1227.31 | J/mol×K | 1051.68 | Joback Calculated Property |
| Cp,gas | 1239.26 | J/mol×K | 1085.92 | Joback Calculated Property |
| Cp,gas | 1249.96 | J/mol×K | 1120.16 | Joback Calculated Property |
| η | [0.0000198; 0.0005952] | Pa×s | [482.59; 914.72] |
|
| η | 0.0005952 | Pa×s | 482.59 | Joback Calculated Property |
| η | 0.0002335 | Pa×s | 554.61 | Joback Calculated Property |
| η | 0.0001136 | Pa×s | 626.63 | Joback Calculated Property |
| η | 0.0000641 | Pa×s | 698.65 | Joback Calculated Property |
| η | 0.0000403 | Pa×s | 770.68 | Joback Calculated Property |
| η | 0.0000274 | Pa×s | 842.70 | Joback Calculated Property |
| η | 0.0000198 | Pa×s | 914.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, hexyl 3-phenylpropyl ester.
Sources
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