- InChI
- InChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2,5-6H,3-4H2/t5-,6+
- InChI Key
- KMOUUZVZFBCRAM-OLQVQODUSA-N
- Formula
- C8H8O3
- SMILES
- O=C1OC(=O)C2CC=CCC12
- Molecular Weight1
- 152.15
- CAS
- 935-79-5
- Other Names
-
- Tetrahydrophthalic anhydride
- cis-4-Cyclohexene-1,2-dicarboxylic anhydride
- 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-, cis-
- cis-3a,4,7,7a-Tetrahydro-1,3-isobenzofurandione
- 3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione, (Z)-
- 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-, (3aR,7aS)-rel-
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Ttriple : Triple Point Temperature (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 |
|---|---|---|---|
| ΔcH°solid | -3519.00 ± 2.00 | kJ/mol | NIST |
| ΔfG° | -199.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -430.95 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -772.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 14.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.04 | kJ/mol | Joback Calculated Property |
| log10WS | -0.97 | Crippen Calculated Property | |
| logPoct/wat | 0.652 | Crippen Calculated Property | |
| McVol | 106.570 | ml/mol | McGowan Calculated Property |
| Pc | 4140.93 | kPa | Joback Calculated Property |
| Tboil | 570.48 | K | Joback Calculated Property |
| Tc | 825.93 | K | Joback Calculated Property |
| Tfus | 369.01 | K | Joback Calculated Property |
| Ttriple | 371.60 ± 1.50 | K | NIST |
| Vc | 0.395 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.11; 351.08] | J/mol×K | [570.48; 825.93] | 
|
| Cp,gas | 272.11 | J/mol×K | 570.48 | Joback Calculated Property |
| Cp,gas | 287.75 | J/mol×K | 613.06 | Joback Calculated Property |
| Cp,gas | 302.42 | J/mol×K | 655.63 | Joback Calculated Property |
| Cp,gas | 316.11 | J/mol×K | 698.21 | Joback Calculated Property |
| Cp,gas | 328.79 | J/mol×K | 740.78 | Joback Calculated Property |
| Cp,gas | 340.45 | J/mol×K | 783.36 | Joback Calculated Property |
| Cp,gas | 351.08 | J/mol×K | 825.93 | Joback Calculated Property |
| ΔsubH | 53.10 ± 0.20 | kJ/mol | 325.00 | NIST |
| ΔvapH | 53.10 ± 0.10 | kJ/mol | 425.00 | NIST |
Similar Compounds
Find more compounds similar to cis-1,2,3,6-Tetrahydrophthalic anhydride.
Sources
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