- InChI
- InChI=1S/C18H18O4S2/c1-23-15-7-3-13(4-8-15)21-17(19)11-12-18(20)22-14-5-9-16(24-2)10-6-14/h3-10H,11-12H2,1-2H3
- InChI Key
- NJPWAHMYTFAMHX-UHFFFAOYSA-N
- Formula
- C18H18O4S2
- SMILES
-
CSc1ccc(OC(=O)CCC(=O)Oc2ccc(SC
)cc2)cc1 - Molecular Weight1
- 362.46
- ω : Acentric Factor.
- 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).
- 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 | 0.8226 | Relay (1.0) Calculated Property | |
| ΔfG° | -95.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -519.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.422 | Crippen Calculated Property | |
| McVol | 264.540 | ml/mol | McGowan Calculated Property |
| Pc | 2088.84 | kPa | Joback Calculated Property |
| Inp | [3126.00; 3126.00] |
|
|
| Inp | 3126.00 | NIST | |
| Inp | 3126.00 | NIST | |
| Tboil | 686.74 | K | Relay (1.0) Calculated Property |
| Tc | 930.08 | K | Relay (1.0) Calculated Property |
| Tfus | 400.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.922 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [764.70; 798.34] | J/mol×K | [964.70; 1219.43] |
|
| Cp,gas | 764.70 | J/mol×K | 964.70 | Joback Calculated Property |
| Cp,gas | 774.60 | J/mol×K | 1007.15 | Joback Calculated Property |
| Cp,gas | 782.76 | J/mol×K | 1049.61 | Joback Calculated Property |
| Cp,gas | 789.21 | J/mol×K | 1092.06 | Joback Calculated Property |
| Cp,gas | 793.95 | J/mol×K | 1134.52 | Joback Calculated Property |
| Cp,gas | 796.99 | J/mol×K | 1176.97 | Joback Calculated Property |
| Cp,gas | 798.34 | J/mol×K | 1219.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, di(4-methylthiophenyl) ester.
Sources
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