![6-chloro-2-(6-chloro-4-methyl-3-oxobenzo[b]thien-2(3H)-ylidene)-4-methylbenzo[b]thiophene-3(2H)-one](/cid/120-525-5/6-chloro-2-6-chloro-4-methyl-3-oxobenzo-b-thien-2-3H-ylidene-4-methylbenzo-b-thiophene-3-2H-one.png "6-chloro-2-(6-chloro-4-methyl-3-oxobenzo[b]thien-2(3H)-ylidene)-4-methylbenzo[b]thiophene-3(2H)-one")
- InChI
- InChI=1S/C18H10Cl2O2S2/c1-7-3-9(19)5-11-13(7)15(21)17(23-11)18-16(22)14-8(2)4-10(20)6-12(14)24-18/h3-6H,1-2H3/b18-17+
- InChI Key
- NDDLLTAIKYHPOD-ISLYRVAYSA-N
- Formula
- C18H10Cl2O2S2
- SMILES
-
Cc1cc(Cl)cc2c1C(=O)C(=C1Sc3cc(
Cl)cc(C)c3C1=O)S2 - Molecular Weight1
- 393.31
- CAS
- 2379-74-0
- Other Names
-
- 6-Chloro-2-(6-chloro-4-methyl-3-oxobenzo[b]thien-2(3H)-ylidine)-4-methyl-benzo[b]thiophen-3(2H)-one (C.I. Vat Red 1)
- 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- 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° | 226.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -5.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.13 | kJ/mol | Joback Calculated Property |
| log10WS | -8.05 | Crippen Calculated Property | |
| logPoct/wat | 6.099 | Crippen Calculated Property | |
| McVol | 251.260 | ml/mol | McGowan Calculated Property |
| Pc | 2361.07 | kPa | Joback Calculated Property |
| Tboil | 1032.58 | K | Joback Calculated Property |
| Tc | 1327.16 | K | Joback Calculated Property |
| Tfus | 853.92 | K | Joback Calculated Property |
| Vc | 0.933 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [676.32; 724.55] | J/mol×K | [1032.58; 1327.16] | 
|
| Cp,gas | 676.32 | J/mol×K | 1032.58 | Joback Calculated Property |
| Cp,gas | 686.59 | J/mol×K | 1081.68 | Joback Calculated Property |
| Cp,gas | 695.84 | J/mol×K | 1130.77 | Joback Calculated Property |
| Cp,gas | 704.18 | J/mol×K | 1179.87 | Joback Calculated Property |
| Cp,gas | 711.68 | J/mol×K | 1228.97 | Joback Calculated Property |
| Cp,gas | 718.44 | J/mol×K | 1278.06 | Joback Calculated Property |
| Cp,gas | 724.55 | J/mol×K | 1327.16 | Joback Calculated Property |
| ΔsubH | 148.00 | kJ/mol | 576.50 | NIST |
Similar Compounds
Sources
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