- InChI
- InChI=1S/C12H22O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h1-11H2
- InChI Key
- DQGSJTVMODPFBK-UHFFFAOYSA-N
- Formula
- C12H22O2
- SMILES
- O=C1CCCCCCCCCCCO1
- Molecular Weight1
- 198.30
- CAS
- 947-05-7
- Other Names
-
- Dodecanolactone
- ω : Acentric Factor.
- 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°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.3473 | Relay (1.0) Calculated Property | |
| ΔfG° | -211.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -540.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°liquid | -611.00 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 10.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [70.50; 71.00] | kJ/mol |
|
| ΔvapH° | 71.00 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 71.00 | kJ/mol | NIST |
| ΔvapH° | 70.50 ± 1.70 | kJ/mol | NIST |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.444 | Crippen Calculated Property | |
| McVol | 176.520 | ml/mol | McGowan Calculated Property |
| Pc | 2681.86 | kPa | Joback Calculated Property |
| Tboil | 612.96 | K | Relay (1.0) Calculated Property |
| Tc | 812.08 | K | Relay (1.0) Calculated Property |
| Tfus | 319.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.585 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [484.83; 615.37] | J/mol×K | [622.84; 883.40] |
|
| Cp,gas | 484.83 | J/mol×K | 622.84 | Joback Calculated Property |
| Cp,gas | 511.62 | J/mol×K | 666.27 | Joback Calculated Property |
| Cp,gas | 536.50 | J/mol×K | 709.69 | Joback Calculated Property |
| Cp,gas | 559.40 | J/mol×K | 753.12 | Joback Calculated Property |
| Cp,gas | 580.23 | J/mol×K | 796.55 | Joback Calculated Property |
| Cp,gas | 598.91 | J/mol×K | 839.97 | Joback Calculated Property |
| Cp,gas | 615.37 | J/mol×K | 883.40 | Joback Calculated Property |
| ΔvapH | 64.20 ± 1.10 | kJ/mol | 390.00 | NIST |
Similar Compounds
Find more compounds similar to Oxacyclotridecan-2-one.
Sources
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