- InChI
- InChI=1S/C15H30O/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16/h14-15H,3-13H2,1-2H3
- InChI Key
- KEKMLOYOUUVRDN-UHFFFAOYSA-N
- Formula
- C15H30O
- SMILES
- CC(C)CCCCCCCCCCCC=O
- Molecular Weight1
- 226.40
- CAS
- 75853-51-9
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-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 | 0.7264 | Relay (1.0) Calculated Property | |
| ΔfG° | -26.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -468.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.132 | Crippen Calculated Property | |
| McVol | 223.780 | ml/mol | McGowan Calculated Property |
| Pc | 1506.98 | kPa | Joback Calculated Property |
| Inp | [1680.30; 1680.30] |
|
|
| Inp | 1680.30 | NIST | |
| Inp | 1680.30 | NIST | |
| Tboil | 556.58 | K | Relay (1.0) Calculated Property |
| Tc | 743.16 | K | Relay (1.0) Calculated Property |
| Tfus | 297.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.852 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [328.29; 784.51] | 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 | -1.02900e+00 | |||
| Coefficient B | 1.40924e+00 | |||
| Coefficient C | -7.88400e-04 | |||
| Coefficient D | 1.64700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 328.29 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 406.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 476.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 538.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 593.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 642.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 685.75 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 723.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 756.13 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 784.51 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0061062; 0.0002611] | Pa×s | [285.81; 530.47] |
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 | -1.19327e+01 | |||
| Coefficient B | 1.95329e+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. | 285.81 | |||
| Temperature range, max. | 530.47 | |||
| η | 0.0061062 | Pa×s | 285.81 | Calculated Property |
| η | 0.0033728 | Pa×s | 312.99 | Calculated Property |
| η | 0.0020483 | Pa×s | 340.18 | Calculated Property |
| η | 0.0013393 | Pa×s | 367.36 | Calculated Property |
| η | 0.0009285 | Pa×s | 394.55 | Calculated Property |
| η | 0.0006748 | Pa×s | 421.73 | Calculated Property |
| η | 0.0005098 | Pa×s | 448.92 | Calculated Property |
| η | 0.0003976 | Pa×s | 476.10 | Calculated Property |
| η | 0.0003186 | Pa×s | 503.28 | Calculated Property |
| η | 0.0002611 | Pa×s | 530.47 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [433.72; 604.36] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.51918e+01 | |||
| Coefficient B | -5.00182e+03 | |||
| Coefficient C | -9.81230e+01 | |||
| Temperature range, min. | 433.72 | |||
| Temperature range, max. | 604.36 | |||
| Pvap | 1.33 | kPa | 433.72 | Calculated Property |
| Pvap | 2.96 | kPa | 452.68 | Calculated Property |
| Pvap | 6.05 | kPa | 471.64 | Calculated Property |
| Pvap | 11.56 | kPa | 490.60 | Calculated Property |
| Pvap | 20.80 | kPa | 509.56 | Calculated Property |
| Pvap | 35.53 | kPa | 528.52 | Calculated Property |
| Pvap | 58.02 | kPa | 547.48 | Calculated Property |
| Pvap | 91.05 | kPa | 566.44 | Calculated Property |
| Pvap | 137.96 | kPa | 585.40 | Calculated Property |
| Pvap | 202.64 | kPa | 604.36 | Calculated Property |
Similar Compounds
Find more compounds similar to 13-Methyltetradecanal.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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