- InChI
- InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-13-11-12/h11H,2-10H2,1H3
- InChI Key
- BCLJZFLDSCTULJ-UHFFFAOYSA-N
- Formula
- C11H22O2
- SMILES
- CCCCCCCCCCOC=O
- Molecular Weight1
- 186.29
- CAS
- 5451-52-5
- Other Names
-
- Decyl formate
- n-Decyl methanoate
- 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 | 0.6756 | Relay (1.0) Calculated Property | |
| ΔfG° | -216.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -537.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.300 | Crippen Calculated Property | |
| McVol | 173.290 | ml/mol | McGowan Calculated Property |
| Pc | 1963.07 | kPa | Joback Calculated Property |
| Inp | [1310.00; 1342.00] |
|
|
| Inp | 1342.00 | NIST | |
| Inp | 1310.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1310.00 | NIST | |
| Tboil | 503.09 | K | Relay (1.0) Calculated Property |
| Tc | 681.82 | K | Relay (1.0) Calculated Property |
| Tfus | 262.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.677 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [249.65; 578.81] | 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 | -2.11100e+00 | |||
| Coefficient B | 1.09712e+00 | |||
| Coefficient C | -6.87400e-04 | |||
| Coefficient D | 1.71200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 249.65 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 307.57 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 358.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 404.15 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 443.89 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 478.66 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 508.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 535.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 558.53 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 578.81 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0031967; 0.0004367] | Pa×s | [272.43; 472.23] |
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 | -1.04507e+01 | |||
| Coefficient B | 1.28179e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 272.43 | |||
| Temperature range, max. | 472.23 | |||
| η | 0.0031967 | Pa×s | 272.43 | Calculated Property |
| η | 0.0022425 | Pa×s | 294.63 | Calculated Property |
| η | 0.0016533 | Pa×s | 316.83 | Calculated Property |
| η | 0.0012685 | Pa×s | 339.03 | Calculated Property |
| η | 0.0010055 | Pa×s | 361.23 | Calculated Property |
| η | 0.0008188 | Pa×s | 383.43 | Calculated Property |
| η | 0.0006819 | Pa×s | 405.63 | Calculated Property |
| η | 0.0005787 | Pa×s | 427.83 | Calculated Property |
| η | 0.0004992 | Pa×s | 450.03 | Calculated Property |
| η | 0.0004367 | Pa×s | 472.23 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [392.92; 516.61] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.78331e+01 | |||
| Coefficient B | -5.40892e+03 | |||
| Coefficient C | -8.46400e+01 | |||
| Temperature range, min. | 392.92 | |||
| Temperature range, max. | 516.61 | |||
| Pvap | 1.33 | kPa | 392.92 | Calculated Property |
| Pvap | 2.82 | kPa | 406.66 | Calculated Property |
| Pvap | 5.61 | kPa | 420.41 | Calculated Property |
| Pvap | 10.56 | kPa | 434.15 | Calculated Property |
| Pvap | 18.97 | kPa | 447.89 | Calculated Property |
| Pvap | 32.64 | kPa | 461.64 | Calculated Property |
| Pvap | 54.07 | kPa | 475.38 | Calculated Property |
| Pvap | 86.54 | kPa | 489.12 | Calculated Property |
| Pvap | 134.30 | kPa | 502.87 | Calculated Property |
| Pvap | 202.66 | kPa | 516.61 | Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, decyl ester.
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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