- InChI
- InChI=1S/C11H22O2/c1-3-4-5-6-7-8-10(2)9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
- InChI Key
- ZGDHFHMCRRTRAW-UHFFFAOYSA-N
- Formula
- C11H22O2
- SMILES
- CCCCCCCC(C)CC(=O)O
- Molecular Weight1
- 186.29
- CAS
- 60308-82-9
- Other Names
-
- 3-Methyldecanoic acid
- 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).
- 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 | 0.8084 | Relay (1.0) Calculated Property | |
| ΔfG° | -304.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -635.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.458 | Crippen Calculated Property | |
| McVol | 173.290 | ml/mol | McGowan Calculated Property |
| Pc | 2110.00 | kPa | Joback Calculated Property |
| Tboil | 526.80 | K | Relay (1.0) Calculated Property |
| Tc | 725.93 | K | Relay (1.0) Calculated Property |
| Tfus | 279.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.639 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [252.14; 598.15] | 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 | -4.19300e+00 | |||
| Coefficient B | 1.10554e+00 | |||
| Coefficient C | -6.50400e-04 | |||
| Coefficient D | 1.47200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 252.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 312.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 365.48 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 412.95 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 454.89 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 491.79 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 524.09 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 552.28 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 576.81 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 598.15 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020192; 0.0002616] | Pa×s | [359.33; 545.32] |
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 | -1.21967e+01 | |||
| Coefficient B | 2.15296e+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. | 359.33 | |||
| Temperature range, max. | 545.32 | |||
| η | 0.0020192 | Pa×s | 359.33 | Calculated Property |
| η | 0.0014577 | Pa×s | 380.00 | Calculated Property |
| η | 0.0010883 | Pa×s | 400.66 | Calculated Property |
| η | 0.0008361 | Pa×s | 421.33 | Calculated Property |
| η | 0.0006584 | Pa×s | 441.99 | Calculated Property |
| η | 0.0005297 | Pa×s | 462.66 | Calculated Property |
| η | 0.0004341 | Pa×s | 483.32 | Calculated Property |
| η | 0.0003617 | Pa×s | 503.99 | Calculated Property |
| η | 0.0003056 | Pa×s | 524.65 | Calculated Property |
| η | 0.0002616 | Pa×s | 545.32 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [420.92; 583.02] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.54533e+01 | |||
| Coefficient B | -4.96291e+03 | |||
| Coefficient C | -9.36750e+01 | |||
| Temperature range, min. | 420.92 | |||
| Temperature range, max. | 583.02 | |||
| Pvap | 1.33 | kPa | 420.92 | Calculated Property |
| Pvap | 2.94 | kPa | 438.93 | Calculated Property |
| Pvap | 6.00 | kPa | 456.94 | Calculated Property |
| Pvap | 11.44 | kPa | 474.95 | Calculated Property |
| Pvap | 20.57 | kPa | 492.96 | Calculated Property |
| Pvap | 35.18 | kPa | 510.98 | Calculated Property |
| Pvap | 57.54 | kPa | 528.99 | Calculated Property |
| Pvap | 90.51 | kPa | 547.00 | Calculated Property |
| Pvap | 137.53 | kPa | 565.01 | Calculated Property |
| Pvap | 202.63 | kPa | 583.02 | Calculated Property |
Similar Compounds
Find more compounds similar to Decanoic acid, 3-methyl-.
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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