- InChI
- InChI=1S/C13H24O2/c14-13-11-9-7-5-3-1-2-4-6-8-10-12-15-13/h1-12H2
- InChI Key
- IUDIJIVSWGWJNV-UHFFFAOYSA-N
- Formula
- C13H24O2
- SMILES
- O=C1CCCCCCCCCCCCO1
- Molecular Weight1
- 212.33
- CAS
- 1725-04-8
- Other Names
-
- 1,13-Tridecanolide
- 1-Oxacyclotetradecan-2-one
- 13-Tridecanolide
- Tridecano-13-lactone
- Tridecanoic acid, 13-hydroxy-, «mu»-lactone
- Tridecanolide
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid 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).
- ΔfH°solid : Solid 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).
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3489 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -7895.30 ± 2.90 | kJ/mol | NIST |
| ΔfG° | -292.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -569.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°liquid | -644.00 ± 2.00 | kJ/mol | NIST |
| ΔfH°solid | -648.10 ± 2.90 | kJ/mol | NIST |
| ΔfusH° | 11.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [72.90; 75.00] | kJ/mol |
|
| ΔvapH° | 75.00 | kJ/mol | NIST |
| ΔvapH° | 72.90 ± 1.70 | kJ/mol | NIST |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.834 | Crippen Calculated Property | |
| McVol | 190.610 | ml/mol | McGowan Calculated Property |
| Pc | 2327.03 | kPa | Joback Calculated Property |
| Inp | [1590.00; 1640.80] |
|
|
| Inp | 1627.00 | NIST | |
| Inp | 1640.80 | NIST | |
| Inp | 1636.00 | NIST | |
| Inp | Outlier 1590.00 | NIST | |
| Inp | 1636.00 | NIST | |
| Inp | 1627.00 | NIST | |
| I | [2030.00; 2082.00] |
|
|
| I | 2030.00 | NIST | |
| I | 2082.00 | NIST | |
| I | 2062.00 | NIST | |
| I | 2055.00 | NIST | |
| I | 2030.00 | NIST | |
| I | 2082.00 | NIST | |
| S°solid,1 bar | [401.80; 401.90] | J/mol×K |
|
| S°solid,1 bar | 401.80 | J/mol×K | NIST |
| S°solid,1 bar | 401.90 | J/mol×K | NIST |
| Tboil | 629.84 | K | Relay (1.0) Calculated Property |
| Tc | 831.64 | K | Relay (1.0) Calculated Property |
| Tfus | 312.99 | K | Relay (1.0) Calculated Property |
| Ttriple | [300.40; 300.42] | K |
|
| Ttriple | 300.42 ± 0.01 | K | NIST |
| Ttriple | 300.40 ± 0.10 | K | NIST |
| Ttriple | 300.42 ± 0.01 | K | NIST |
| Ttriple | 300.40 ± 0.10 | K | NIST |
Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [509.89; 638.37] | J/mol×K | [605.10; 842.81] |
|
| Cp,gas | 509.89 | J/mol×K | 605.10 | Joback Calculated Property |
| Cp,gas | 535.72 | J/mol×K | 644.72 | Joback Calculated Property |
| Cp,gas | 559.80 | J/mol×K | 684.34 | Joback Calculated Property |
| Cp,gas | 582.13 | J/mol×K | 723.95 | Joback Calculated Property |
| Cp,gas | 602.69 | J/mol×K | 763.57 | Joback Calculated Property |
| Cp,gas | 621.44 | J/mol×K | 803.19 | Joback Calculated Property |
| Cp,gas | 638.37 | J/mol×K | 842.81 | Joback Calculated Property |
| Cp,solid | [398.30; 398.30] | J/mol×K | [298.15; 298.15] |
|
| Cp,solid | 398.30 | J/mol×K | 298.15 | NIST |
| Cp,solid | 398.30 | J/mol×K | 298.15 | NIST |
| η | [0.0000282; 0.0452504] | Pa×s | [269.10; 605.10] |
|
| η | 0.0452504 | Pa×s | 269.10 | Joback Calculated Property |
| η | 0.0045855 | Pa×s | 325.10 | Joback Calculated Property |
| η | 0.0009106 | Pa×s | 381.10 | Joback Calculated Property |
| η | 0.0002736 | Pa×s | 437.10 | Joback Calculated Property |
| η | 0.0001081 | Pa×s | 493.10 | Joback Calculated Property |
| η | 0.0000516 | Pa×s | 549.10 | Joback Calculated Property |
| η | 0.0000282 | Pa×s | 605.10 | Joback Calculated Property |
| ΔfusH | 9.08 | kJ/mol | 300.40 | NIST |
| ΔvapH | [66.60; 67.50] | kJ/mol | [390.00; 418.00] |
|
| ΔvapH | 66.60 ± 1.10 | kJ/mol | 390.00 | NIST |
| ΔvapH | 67.50 | kJ/mol | 418.00 | NIST |
Similar Compounds
Find more compounds similar to Oxacyclotetradecan-2-one.
Sources
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