- InChI
- InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14/h13H,2-12H2,1H3
- InChI Key
- WPSGFSPBRBRLIQ-UHFFFAOYSA-N
- Formula
- C13H26O2
- SMILES
- CCCCCCCCCCCCOC=O
- Molecular Weight1
- 214.34
- CAS
- 28303-42-6
- Other Names
-
- dodecyl 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 | 0.7463 | Relay (1.0) Calculated Property | |
| ΔfG° | -199.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -579.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.080 | Crippen Calculated Property | |
| McVol | 201.470 | ml/mol | McGowan Calculated Property |
| Pc | 1667.33 | kPa | Joback Calculated Property |
| Inp | [1513.00; 1543.00] |
|
|
| Inp | 1543.00 | NIST | |
| Inp | 1543.00 | NIST | |
| Inp | 1513.00 | NIST | |
| Inp | 1513.00 | NIST | |
| Tboil | 534.56 | K | Relay (1.0) Calculated Property |
| Tc | 711.54 | K | Relay (1.0) Calculated Property |
| Tfus | 279.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.788 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.08; 681.99] | 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 | -3.92900e+00 | |||
| Coefficient B | 1.28712e+00 | |||
| Coefficient C | -7.96200e-04 | |||
| Coefficient D | 1.95000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 292.08 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 360.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 421.04 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 474.61 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 521.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 562.98 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 599.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 630.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 657.91 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 681.99 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0032651; 0.0004155] | Pa×s | [294.97; 503.04] |
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 | -1.07084e+01 | |||
| Coefficient B | 1.47011e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 294.97 | |||
| Temperature range, max. | 503.04 | |||
| η | 0.0032651 | Pa×s | 294.97 | Calculated Property |
| η | 0.0022729 | Pa×s | 318.09 | Calculated Property |
| η | 0.0016618 | Pa×s | 341.21 | Calculated Property |
| η | 0.0012643 | Pa×s | 364.33 | Calculated Property |
| η | 0.0009937 | Pa×s | 387.45 | Calculated Property |
| η | 0.0008026 | Pa×s | 410.56 | Calculated Property |
| η | 0.0006631 | Pa×s | 433.68 | Calculated Property |
| η | 0.0005586 | Pa×s | 456.80 | Calculated Property |
| η | 0.0004784 | Pa×s | 479.92 | Calculated Property |
| η | 0.0004155 | Pa×s | 503.04 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.68] | kPa | [428.12; 549.41] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.90325e+01 | |||
| Coefficient B | -6.20920e+03 | |||
| Coefficient C | -9.68720e+01 | |||
| Temperature range, min. | 428.12 | |||
| Temperature range, max. | 549.41 | |||
| Pvap | 1.33 | kPa | 428.12 | Calculated Property |
| Pvap | 2.77 | kPa | 441.60 | Calculated Property |
| Pvap | 5.46 | kPa | 455.07 | Calculated Property |
| Pvap | 10.24 | kPa | 468.55 | Calculated Property |
| Pvap | 18.38 | kPa | 482.03 | Calculated Property |
| Pvap | 31.69 | kPa | 495.50 | Calculated Property |
| Pvap | 52.75 | kPa | 508.98 | Calculated Property |
| Pvap | 85.00 | kPa | 522.46 | Calculated Property |
| Pvap | 133.02 | kPa | 535.93 | Calculated Property |
| Pvap | 202.68 | kPa | 549.41 | Calculated Property |
Similar Compounds
Find more compounds similar to Dodecyl 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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