- InChI
- InChI=1S/C12H18O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8H,5-6H2,1-4H3
- InChI Key
- UFHLMYOGRXOCSL-UHFFFAOYSA-N
- Formula
- C12H18O4S2
- SMILES
-
CC(C)OC(=O)C(C(=O)OC(C)C)=C1SC
CS1 - Molecular Weight1
- 290.40
- CAS
- 50512-35-1
- Other Names
-
- Di-isopropyl 1,3-dithiolane-2-ylidenemalonate
- Fudiolan
- Fuji 1
- Fujione
- IPT
- Isoprothiolane
- NKK 100
- NNF-109
- SS 11946
- IPT (pesticide)
- Bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate
- Diisopropyl 2-(1,3-dithiolan-2-ylidene)propanedioate
- Malonic acid, 2-(1,3-dithiolan-2-ylidene), diisopropyl ester
- Propanedioic acid, 2-(1,3-dithiolan-2-ylidene)-, 1,3-bis(1-methylethyl) ester
- 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° | -261.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -553.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.90 | kJ/mol | Joback Calculated Property |
| log10WS | -3.30 | Crippen Calculated Property | |
| logPoct/wat | 2.581 | Crippen Calculated Property | |
| McVol | 212.360 | ml/mol | McGowan Calculated Property |
| Pc | 2433.84 | kPa | Joback Calculated Property |
| Inp | [2177.00; 2198.00] |
|
|
| Inp | 2198.00 | NIST | |
| Inp | 2177.00 | NIST | |
| Inp | 2194.00 | NIST | |
| Tboil | 747.79 | K | Joback Calculated Property |
| Tc | 981.23 | K | Joback Calculated Property |
| Tfus | 517.76 | K | Joback Calculated Property |
| Vc | 0.761 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [573.55; 645.32] | J/mol×K | [747.79; 981.23] |
|
| Cp,gas | 573.55 | J/mol×K | 747.79 | Joback Calculated Property |
| Cp,gas | 588.07 | J/mol×K | 786.70 | Joback Calculated Property |
| Cp,gas | 601.53 | J/mol×K | 825.60 | Joback Calculated Property |
| Cp,gas | 613.95 | J/mol×K | 864.51 | Joback Calculated Property |
| Cp,gas | 625.36 | J/mol×K | 903.41 | Joback Calculated Property |
| Cp,gas | 635.81 | J/mol×K | 942.32 | Joback Calculated Property |
| Cp,gas | 645.32 | J/mol×K | 981.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester.
Sources
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