- InChI
- InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2
- InChI Key
- PAPBSGBWRJIAAV-UHFFFAOYSA-N
- Formula
- C6H10O2
- SMILES
- O=C1CCCCCO1
- Molecular Weight1
- 114.14
- CAS
- 502-44-3
- Other Names
-
- .epsilon.-caprolactone
- 1,6-Hexanolide
- 1-Oxa-2-oxocycloheptane
- 2-Oxacycloheptanone
- 6-Caprolactone
- 6-Caprolactone monomer
- 6-Hexanalactone
- 6-Hexanolactone
- 6-Hexanolide
- 6-Hydroxyhexan-6-olide
- 6-Hydroxyhexanoic acid lactone
- Caprolactone
- E-caprolactone
- Epsilon-caprolactone
- Hexamethylene oxide, 2-oxo-
- Hexan-6-olide
- Hexanoic acid, 6-hydroxy-, lactone
- Hexanoic acid, 6-hydroxy-, «epsilon»-lactone
- Hexanoic acid, 6-hydroxy-, «epsilon»-lactone
- Hexanoic acid, «epsilon»-lactone
- Hexanoic acid, «epsilon»-lactone
- Placcel M
- oxepan-2-one
- «epsilon»-Caprolactone
- «epsilon»-Caprolactone monomer
- «epsilon»-Kaprolakton
- «epsilon»-Caprolactone
- «epsilon»-Caprolactone monomer
- «epsilon»-Kaprolakton
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion 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).
- Pvap : Vapor pressure (kPa).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- csound,fluid : Speed of sound in fluid (m/s).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔfG° | -189.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -396.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°liquid | -458.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 7.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [62.00; 62.00] | kJ/mol |
|
| ΔvapH° | 62.00 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 62.00 | kJ/mol | NIST |
| ΔvapH° | 62.00 ± 1.30 | kJ/mol | NIST |
| log10WS | -1.09 | Crippen Calculated Property | |
| logPoct/wat | 1.104 | Crippen Calculated Property | |
| McVol | 91.980 | ml/mol | McGowan Calculated Property |
| Pc | 4414.96 | kPa | Joback Calculated Property |
| S°liquid | [235.60; 235.70] | J/mol×K |
|
| S°liquid | 235.70 | J/mol×K | NIST |
| S°liquid | 235.60 | J/mol×K | NIST |
| Tboil | 459.94 | K | Joback Calculated Property |
| Tc | 695.47 | K | Joback Calculated Property |
| Tfus | 260.27 | K | Joback Calculated Property |
| Ttriple | [271.83; 272.13] | K |
|
| Ttriple | 272.13 ± 0.02 | K | NIST |
| Ttriple | 271.83 ± 0.02 | K | NIST |
| Vc | 0.326 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [189.87; 267.94] | J/mol×K | [459.94; 695.47] |
|
| Cp,gas | 189.87 | J/mol×K | 459.94 | Joback Calculated Property |
| Cp,gas | 204.60 | J/mol×K | 499.20 | Joback Calculated Property |
| Cp,gas | 218.67 | J/mol×K | 538.45 | Joback Calculated Property |
| Cp,gas | 232.06 | J/mol×K | 577.71 | Joback Calculated Property |
| Cp,gas | 244.74 | J/mol×K | 616.96 | Joback Calculated Property |
| Cp,gas | 256.71 | J/mol×K | 656.22 | Joback Calculated Property |
| Cp,gas | 267.94 | J/mol×K | 695.47 | Joback Calculated Property |
| Cp,liquid | [196.80; 196.80] | J/mol×K | [298.15; 298.15] |
|
| Cp,liquid | 196.80 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 196.80 | J/mol×K | 298.15 | NIST |
| η | [0.0034203; 0.0048852] | Pa×s | [303.15; 318.15] |
|
| η | 0.0048852 | Pa×s | 303.15 | Volumet... |
| η | 0.0043237 | Pa×s | 308.15 | Volumet... |
| η | 0.0038182 | Pa×s | 313.15 | Volumet... |
| η | 0.0034203 | Pa×s | 318.15 | Volumet... |
| ΔfusH | [13.82; 13.82] | kJ/mol | [271.83; 272.13] |
|
| ΔfusH | 13.82 | kJ/mol | 271.83 | NIST |
| ΔfusH | 13.82 | kJ/mol | 272.00 | NIST |
| ΔfusH | 13.82 | kJ/mol | 272.13 | NIST |
| ΔvapH | 54.00 ± 0.20 | kJ/mol | 415.50 | NIST |
| Pvap | [0.04; 0.77] | kPa | [283.20; 343.20] |
|
| Pvap | 0.04 | kPa | 283.20 | Vapour ... |
| Pvap | 0.08 | kPa | 292.90 | Vapour ... |
| Pvap | 0.13 | kPa | 302.90 | Vapour ... |
| Pvap | 0.21 | kPa | 313.10 | Vapour ... |
| Pvap | 0.34 | kPa | 323.10 | Vapour ... |
| Pvap | 0.52 | kPa | 333.20 | Vapour ... |
| Pvap | 0.77 | kPa | 343.20 | Vapour ... |
| ΔfusS | [50.90; 50.90] | J/mol×K | [271.83; 272.13] |
|
| ΔfusS | 50.90 | J/mol×K | 271.83 | NIST |
| ΔfusS | 50.90 | J/mol×K | 272.13 | NIST |
| csound,fluid | [1454.52; 1567.76] | m/s | [293.15; 323.15] |
|
| csound,fluid | 1567.76 | m/s | 293.15 | A compa... |
| csound,fluid | 1548.28 | m/s | 298.15 | A compa... |
| csound,fluid | 1528.99 | m/s | 303.15 | A compa... |
| csound,fluid | 1509.98 | m/s | 308.15 | A compa... |
| csound,fluid | 1491.20 | m/s | 313.15 | A compa... |
| csound,fluid | 1472.68 | m/s | 318.15 | A compa... |
| csound,fluid | 1454.52 | m/s | 323.15 | A compa... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 370.20 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [373.73; 436.75] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 3.47420e+01 | |||
| Coefficient B | -1.27202e+04 | |||
| Coefficient C | -4.53800e+00 | |||
| Temperature range, min. | 373.73 | |||
| Temperature range, max. | 436.75 | |||
| Pvap | 1.33 | kPa | 373.73 | Calculated Property |
| Pvap | 2.53 | kPa | 380.73 | Calculated Property |
| Pvap | 4.70 | kPa | 387.73 | Calculated Property |
| Pvap | 8.52 | kPa | 394.74 | Calculated Property |
| Pvap | 15.14 | kPa | 401.74 | Calculated Property |
| Pvap | 26.36 | kPa | 408.74 | Calculated Property |
| Pvap | 45.06 | kPa | 415.74 | Calculated Property |
| Pvap | 75.63 | kPa | 422.75 | Calculated Property |
| Pvap | 124.80 | kPa | 429.75 | Calculated Property |
| Pvap | 202.63 | kPa | 436.75 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Oxepanone.
Mixtures
- 2-Oxepanone + Acetamide, N-methyl-
- Carbon dioxide + 2-Oxepanone
- Hexanedioic acid + 2-Oxepanone + Acetic acid
- Hexanedioic acid + 2-Oxepanone + Cyclohexanone
- Hexanedioic acid + 2-Oxepanone
- Butanedioic acid + 2-Oxepanone + Acetic acid
- 2-Oxepanone + Acetic acid + Pentanedioic acid
- Butanedioic acid + 2-Oxepanone + Cyclohexanone
- 2-Oxepanone + Cyclohexanone + Pentanedioic acid
- Butanedioic acid + 2-Oxepanone
- 2-Oxepanone + Pentanedioic acid
- Carbon dioxide + Methylene chloride + 2-Oxepanone
Sources
- Crippen Method
- Crippen Method
- Vapour pressure data of e-caprolactone, d-hexalactone, and c-caprolactone
- Volumetric and transport properties of binary liquid mixtures of N-methylacetamide with lactones at temperatures (303.15 to 318.15) K
- Phase behaviour of binary systems of lactones in carbon dioxide
- A comparative study on the interactions of [bmim][NTf2] ionic liquid with selected four- to seven-membered-ring lactones
- Measurement and Correlation for Solubilities of Adipic Acid in Acetic Acid + e-Caprolactone Mixtures and Cyclohexanone + e-Caprolactone Mixtures
- Measurement and Correlation for Solubilities of Succinic Acid and Glutaric Acid in e-Caprolactone + Acetic Acid Mixtures and e-Caprolactone + Cyclohexanone Mixtures
- High Pressure Phase Equilibrium Data for the Ternary System Containing Carbon Dioxide, Dichloromethane, and epsilon-Caprolactone
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.