- InChI
- InChI=1S/C29H48O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-32-28(30)23-24-29(31)33-26-19-21-27(34-2)22-20-26/h19-22H,3-18,23-25H2,1-2H3
- InChI Key
- RUKQZVNILOQHTD-UHFFFAOYSA-N
- Formula
- C29H48O4S
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)CCC(=O
)Oc1ccc(SC)cc1 - Molecular Weight1
- 492.75
- 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° | -138.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -864.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 74.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.22 | kJ/mol | Joback Calculated Property |
| log10WS | -9.76 | Crippen Calculated Property | |
| logPoct/wat | 8.899 | Crippen Calculated Property | |
| McVol | 426.940 | ml/mol | McGowan Calculated Property |
| Pc | 781.56 | kPa | Joback Calculated Property |
| Inp | [3707.00; 3707.00] |
|
|
| Inp | 3707.00 | NIST | |
| Inp | 3707.00 | NIST | |
| Tboil | 1115.94 | K | Joback Calculated Property |
| Tc | 1379.21 | K | Joback Calculated Property |
| Tfus | 634.25 | K | Joback Calculated Property |
| Vc | 1.653 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1488.50; 1549.68] | J/mol×K | [1115.94; 1379.21] |
|
| Cp,gas | 1488.50 | J/mol×K | 1115.94 | Joback Calculated Property |
| Cp,gas | 1504.12 | J/mol×K | 1159.82 | Joback Calculated Property |
| Cp,gas | 1517.45 | J/mol×K | 1203.70 | Joback Calculated Property |
| Cp,gas | 1528.58 | J/mol×K | 1247.58 | Joback Calculated Property |
| Cp,gas | 1537.60 | J/mol×K | 1291.45 | Joback Calculated Property |
| Cp,gas | 1544.60 | J/mol×K | 1335.33 | Joback Calculated Property |
| Cp,gas | 1549.68 | J/mol×K | 1379.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 4-methylthiophenyl octadecyl ester.
Sources
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