- InChI
- InChI=1S/C7H10O2/c8-7-5-1-3-6(9-7)4-2-5/h5-6H,1-4H2
- InChI Key
- NVORRKXXHHFWDH-UHFFFAOYSA-N
- Formula
- C7H10O2
- SMILES
- O=C1OC2CCC1CC2
- Molecular Weight1
- 126.15
- CAS
- 4350-84-9
- Other Names
-
- 2-Oxabicyclo[2,2,2]octan-3-one
- 2-Oxabicyclo[2.2.2]octan-3-one
- 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 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -3717.50 ± 1.30 | kJ/mol | NIST |
| ΔfG° | -103.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -396.60 ± 2.60 | kJ/mol | NIST |
| ΔfH°solid | -466.20 ± 1.60 | kJ/mol | NIST |
| ΔfusH° | 13.44 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [69.60; 69.60] | kJ/mol |
|
| ΔsubH° | 69.60 ± 2.10 | kJ/mol | NIST |
| ΔsubH° | 69.60 | kJ/mol | NIST |
| ΔvapH° | 40.10 | kJ/mol | Joback Calculated Property |
| log10WS | -1.27 | Crippen Calculated Property | |
| logPoct/wat | 1.102 | Crippen Calculated Property | |
| McVol | 95.210 | ml/mol | McGowan Calculated Property |
| Pc | 4140.93 | kPa | Joback Calculated Property |
| Tboil | 476.35 | K | Joback Calculated Property |
| Tc | 708.35 | K | Joback Calculated Property |
| Tfus | 292.28 | K | Joback Calculated Property |
| Vc | 0.353 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [219.43; 299.70] | J/mol×K | [476.35; 708.35] |
|
| Cp,gas | 219.43 | J/mol×K | 476.35 | Joback Calculated Property |
| Cp,gas | 235.02 | J/mol×K | 515.02 | Joback Calculated Property |
| Cp,gas | 249.68 | J/mol×K | 553.68 | Joback Calculated Property |
| Cp,gas | 263.44 | J/mol×K | 592.35 | Joback Calculated Property |
| Cp,gas | 276.35 | J/mol×K | 631.01 | Joback Calculated Property |
| Cp,gas | 288.42 | J/mol×K | 669.68 | Joback Calculated Property |
| Cp,gas | 299.70 | J/mol×K | 708.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-4-Hydroxycyclohexanecarboxylic acid lactone.
Sources
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