- InChI
- InChI=1S/C14H26O2/c1-13-10-8-6-4-2-3-5-7-9-11-14(15)16-12-13/h13H,2-12H2,1H3
- InChI Key
- NFNWPPOMMYDNFQ-UHFFFAOYSA-N
- Formula
- C14H26O2
- SMILES
- CC1CCCCCCCCCCC(=O)OC1
- Molecular Weight1
- 226.36
- Other Names
-
- 12-Methyltridecano-13-lactone
- ω : Acentric Factor.
- Cp,gas : Ideal gas 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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.
- Ip : Polar retention indices.
- 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 | 0.3687 | Relay (1.0) Calculated Property | |
| ΔfG° | -291.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -618.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.080 | Crippen Calculated Property | |
| McVol | 204.700 | ml/mol | McGowan Calculated Property |
| Pc | 2062.36 | kPa | Joback Calculated Property |
| Inp | [1681.00; 1692.00] |
|
|
| Inp | 1681.00 | NIST | |
| Inp | 1692.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1692.00 | NIST | |
| Ip | [2056.00; 2067.00] |
|
|
| Ip | 2056.00 | NIST | |
| Ip | 2067.00 | NIST | |
| Ip | 2056.00 | NIST | |
| Ip | 2067.00 | NIST | |
| Tboil | 640.92 | K | Relay (1.0) Calculated Property |
| Tc | 820.26 | K | Relay (1.0) Calculated Property |
| Tfus | 286.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.672 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [251.34; 745.46] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -8.07600e+01 | |||
| Coefficient B | 1.34352e+00 | |||
| Coefficient C | -4.45800e-04 | |||
| Coefficient D | -7.15000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 251.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 335.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 413.02 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 483.43 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 546.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 602.22 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 650.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 690.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 722.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 745.46 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0274350; 0.0000343] | Pa×s | [276.13; 599.38] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.59919e+01 | |||
| Coefficient B | 3.42289e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 276.13 | |||
| Temperature range, max. | 599.38 | |||
| η | 0.0274350 | Pa×s | 276.13 | Calculated Property |
| η | 0.0065865 | Pa×s | 312.05 | Calculated Property |
| η | 0.0021229 | Pa×s | 347.96 | Calculated Property |
| η | 0.0008457 | Pa×s | 383.88 | Calculated Property |
| η | 0.0003944 | Pa×s | 419.80 | Calculated Property |
| η | 0.0002074 | Pa×s | 455.72 | Calculated Property |
| η | 0.0001198 | Pa×s | 491.63 | Calculated Property |
| η | 0.0000746 | Pa×s | 527.55 | Calculated Property |
| η | 0.0000493 | Pa×s | 563.47 | Calculated Property |
| η | 0.0000343 | Pa×s | 599.38 | Calculated Property |
Similar Compounds
Find more compounds similar to Oxacyclotetradecan-2-one, 13-methyl-.
Sources
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