- InChI
- InChI=1S/C14H28O2/c1-13(2)11-9-7-5-3-4-6-8-10-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)
- InChI Key
- YYVJAABUJYRQJO-UHFFFAOYSA-N
- Formula
- C14H28O2
- SMILES
- CC(C)CCCCCCCCCCC(=O)O
- Molecular Weight1
- 228.37
- CAS
- 2724-57-4
- Other Names
-
- 12-METHYL TRICADENOIC ACID
- 12-methyltridecanoic 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).
- I : 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 | 0.9337 | Relay (1.0) Calculated Property | |
| ΔfG° | -201.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -703.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.628 | Crippen Calculated Property | |
| McVol | 215.560 | ml/mol | McGowan Calculated Property |
| Pc | 1737.56 | kPa | Joback Calculated Property |
| I | [2657.00; 2657.00] |
|
|
| I | 2657.00 | NIST | |
| I | 2657.00 | NIST | |
| Tboil | 573.80 | K | Relay (1.0) Calculated Property |
| Tc | 759.76 | K | Relay (1.0) Calculated Property |
| Tfus | 328.00 ± 2.00 | K | NIST |
| Vc | 0.809 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [609.14; 690.08] | J/mol×K | [665.33; 833.65] |
|
| Cp,gas | 609.14 | J/mol×K | 665.33 | Joback Calculated Property |
| Cp,gas | 624.25 | J/mol×K | 693.38 | Joback Calculated Property |
| Cp,gas | 638.69 | J/mol×K | 721.44 | Joback Calculated Property |
| Cp,gas | 652.47 | J/mol×K | 749.49 | Joback Calculated Property |
| Cp,gas | 665.61 | J/mol×K | 777.54 | Joback Calculated Property |
| Cp,gas | 678.14 | J/mol×K | 805.60 | Joback Calculated Property |
| Cp,gas | 690.08 | J/mol×K | 833.65 | Joback Calculated Property |
| η | [0.0000473; 0.0079212] | Pa×s | [343.29; 665.33] |
|
| η | 0.0079212 | Pa×s | 343.29 | Joback Calculated Property |
| η | 0.0018944 | Pa×s | 396.96 | Joback Calculated Property |
| η | 0.0006370 | Pa×s | 450.64 | Joback Calculated Property |
| η | 0.0002702 | Pa×s | 504.31 | Joback Calculated Property |
| η | 0.0001351 | Pa×s | 557.98 | Joback Calculated Property |
| η | 0.0000763 | Pa×s | 611.66 | Joback Calculated Property |
| η | 0.0000473 | Pa×s | 665.33 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [458.12; 626.20] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.58185e+01 | |||
| Coefficient B | -5.45940e+03 | |||
| Coefficient C | -1.06602e+02 | |||
| Temperature range, min. | 458.12 | |||
| Temperature range, max. | 626.20 | |||
| Pvap | 1.33 | kPa | 458.12 | Calculated Property |
| Pvap | 2.92 | kPa | 476.80 | Calculated Property |
| Pvap | 5.93 | kPa | 495.47 | Calculated Property |
| Pvap | 11.28 | kPa | 514.15 | Calculated Property |
| Pvap | 20.28 | kPa | 532.82 | Calculated Property |
| Pvap | 34.72 | kPa | 551.50 | Calculated Property |
| Pvap | 56.92 | kPa | 570.17 | Calculated Property |
| Pvap | 89.81 | kPa | 588.85 | Calculated Property |
| Pvap | 136.98 | kPa | 607.52 | Calculated Property |
| Pvap | 202.66 | kPa | 626.20 | Calculated Property |
Similar Compounds
Find more compounds similar to Tridecanoic acid, 12-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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