![6-ethoxy-2-(6-ethoxy-3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3(2H)-one](/cid/91-703-0/6-ethoxy-2-6-ethoxy-3-oxobenzo-b-thien-2-3H-ylidene-benzo-b-thiophene-3-2H-one.png "6-ethoxy-2-(6-ethoxy-3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3(2H)-one")
- InChI
- InChI=1S/C20H16O4S2/c1-3-23-11-5-7-13-15(9-11)25-19(17(13)21)20-18(22)14-8-6-12(24-4-2)10-16(14)26-20/h5-10H,3-4H2,1-2H3/b20-19+
- InChI Key
- VMXWZRNWXZSSCE-FMQUCBEESA-N
- Formula
- C20H16O4S2
- SMILES
-
CCOc1ccc2c(c1)SC(=C1Sc3cc(OCC)
ccc3C1=O)C2=O - Molecular Weight1
- 384.47
- CAS
- 3263-31-8
- Other Names
-
- 6-Ethoxy-2-(6-ethoxy-3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]-thiophen-3(2H)-one (C.I. Vat Orange 5)
- 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° | 75.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -257.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.31 | kJ/mol | Joback Calculated Property |
| log10WS | -6.80 | Crippen Calculated Property | |
| logPoct/wat | 4.973 | Crippen Calculated Property | |
| McVol | 266.700 | ml/mol | McGowan Calculated Property |
| Pc | 2104.20 | kPa | Joback Calculated Property |
| Tboil | 1038.36 | K | Joback Calculated Property |
| Tc | 1311.69 | K | Joback Calculated Property |
| Tfus | 836.04 | K | Joback Calculated Property |
| Vc | 0.984 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [808.89; 851.57] | J/mol×K | [1038.36; 1311.69] | 
|
| Cp,gas | 808.89 | J/mol×K | 1038.36 | Joback Calculated Property |
| Cp,gas | 819.65 | J/mol×K | 1083.91 | Joback Calculated Property |
| Cp,gas | 828.90 | J/mol×K | 1129.47 | Joback Calculated Property |
| Cp,gas | 836.67 | J/mol×K | 1175.02 | Joback Calculated Property |
| Cp,gas | 843.02 | J/mol×K | 1220.58 | Joback Calculated Property |
| Cp,gas | 847.97 | J/mol×K | 1266.13 | Joback Calculated Property |
| Cp,gas | 851.57 | J/mol×K | 1311.69 | Joback Calculated Property |
| ΔsubH | 65.00 | kJ/mol | 576.50 | NIST |
Similar Compounds
Sources
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