- InChI
- InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18/h17H,2-16H2,1H3
- InChI Key
- NZHKUCFYLBRISS-UHFFFAOYSA-N
- Formula
- C17H34O2
- SMILES
- CCCCCCCCCCCCCCCCOC=O
- Molecular Weight1
- 270.45
- CAS
- 4113-08-0
- 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 | 0.8869 | Relay (1.0) Calculated Property | |
| ΔfG° | -165.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -662.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.641 | Crippen Calculated Property | |
| McVol | 257.830 | ml/mol | McGowan Calculated Property |
| Pc | 1245.97 | kPa | Joback Calculated Property |
| Inp | [1914.00; 1914.00] |
|
|
| Inp | 1914.00 | NIST | |
| Inp | 1914.00 | NIST | |
| Tboil | 578.88 | K | Relay (1.0) Calculated Property |
| Tc | 757.34 | K | Relay (1.0) Calculated Property |
| Tfus | 303.42 | K | Relay (1.0) Calculated Property |
| Vc | 1.014 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [376.94; 888.35] | 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 | -7.56500e+00 | |||
| Coefficient B | 1.66712e+00 | |||
| Coefficient C | -1.01380e-03 | |||
| Coefficient D | 2.42600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 376.94 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 466.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 545.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 615.53 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 677.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 731.63 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 779.09 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 820.52 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 856.69 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 888.35 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0029057; 0.0003311] | Pa×s | [340.05; 566.67] |
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 | -1.12719e+01 | |||
| Coefficient B | 1.84675e+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. | 340.05 | |||
| Temperature range, max. | 566.67 | |||
| η | 0.0029057 | Pa×s | 340.05 | Calculated Property |
| η | 0.0019982 | Pa×s | 365.23 | Calculated Property |
| η | 0.0014422 | Pa×s | 390.41 | Calculated Property |
| η | 0.0010828 | Pa×s | 415.59 | Calculated Property |
| η | 0.0008400 | Pa×s | 440.77 | Calculated Property |
| η | 0.0006698 | Pa×s | 465.95 | Calculated Property |
| η | 0.0005467 | Pa×s | 491.13 | Calculated Property |
| η | 0.0004551 | Pa×s | 516.31 | Calculated Property |
| η | 0.0003853 | Pa×s | 541.49 | Calculated Property |
| η | 0.0003311 | Pa×s | 566.67 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.69] | kPa | [498.52; 604.81] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.31402e+01 | |||
| Coefficient B | -8.61965e+03 | |||
| Coefficient C | -1.21336e+02 | |||
| Temperature range, min. | 498.52 | |||
| Temperature range, max. | 604.81 | |||
| Pvap | 1.33 | kPa | 498.52 | Calculated Property |
| Pvap | 2.67 | kPa | 510.33 | Calculated Property |
| Pvap | 5.13 | kPa | 522.14 | Calculated Property |
| Pvap | 9.49 | kPa | 533.95 | Calculated Property |
| Pvap | 16.97 | kPa | 545.76 | Calculated Property |
| Pvap | 29.40 | kPa | 557.57 | Calculated Property |
| Pvap | 49.49 | kPa | 569.38 | Calculated Property |
| Pvap | 81.12 | kPa | 581.19 | Calculated Property |
| Pvap | 129.70 | kPa | 593.00 | Calculated Property |
| Pvap | 202.69 | kPa | 604.81 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexadecyl formate.
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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