- InChI
- InChI=1S/C13H28/c1-4-6-7-8-9-10-11-12-13(3)5-2/h13H,4-12H2,1-3H3
- InChI Key
- GRJUENNHVNYCHD-UHFFFAOYSA-N
- Formula
- C13H28
- SMILES
- CCCCCCCCCC(C)CC
- Molecular Weight1
- 184.36
- CAS
- 17312-57-1
- Other Names
-
- 3-Methyldodecane
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | 56.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -316.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.14 | kJ/mol | Joback Calculated Property |
| log10WS | -5.02 | Crippen Calculated Property | |
| logPoct/wat | 5.173 | Crippen Calculated Property | |
| McVol | 194.030 | ml/mol | McGowan Calculated Property |
| Pc | 1655.15 | kPa | Joback Calculated Property |
| Inp | [1268.00; 1280.00] |
|
|
| Inp | 1270.00 | NIST | |
| Inp | 1276.00 | NIST | |
| Inp | 1268.00 | NIST | |
| Inp | 1271.00 | NIST | |
| Inp | 1271.00 | NIST | |
| Inp | 1271.00 | NIST | |
| Inp | 1274.00 | NIST | |
| Inp | 1272.00 | NIST | |
| Inp | 1271.05 | NIST | |
| Inp | 1271.47 | NIST | |
| Inp | 1271.70 | NIST | |
| Inp | 1270.83 | NIST | |
| Inp | 1271.24 | NIST | |
| Inp | 1271.15 | NIST | |
| Inp | 1271.00 | NIST | |
| Inp | 1270.00 | NIST | |
| Inp | 1270.00 | NIST | |
| Inp | 1273.00 | NIST | |
| Inp | 1270.00 | NIST | |
| Inp | Outlier 1280.00 | NIST | |
| Inp | 1272.10 | NIST | |
| Inp | 1271.00 | NIST | |
| Inp | 1270.00 | NIST | |
| Inp | 1269.00 | NIST | |
| Inp | 1270.00 | NIST | |
| Tboil | 496.40 | K | Joback Calculated Property |
| Tc | 659.72 | K | Joback Calculated Property |
| Tfus | [212.30; 213.70] | K |
|
| Tfus | 212.30 ± 2.00 | K | NIST |
| Tfus | 213.70 ± 5.00 | K | NIST |
| Vc | 0.757 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [455.59; 552.81] | J/mol×K | [496.40; 659.72] |
|
| Cp,gas | 455.59 | J/mol×K | 496.40 | Joback Calculated Property |
| Cp,gas | 473.45 | J/mol×K | 523.62 | Joback Calculated Property |
| Cp,gas | 490.62 | J/mol×K | 550.84 | Joback Calculated Property |
| Cp,gas | 507.13 | J/mol×K | 578.06 | Joback Calculated Property |
| Cp,gas | 522.98 | J/mol×K | 605.28 | Joback Calculated Property |
| Cp,gas | 538.20 | J/mol×K | 632.50 | Joback Calculated Property |
| Cp,gas | 552.81 | J/mol×K | 659.72 | Joback Calculated Property |
| η | [0.0001881; 0.0096568] | Pa×s | [221.27; 496.40] |
|
| η | 0.0096568 | Pa×s | 221.27 | Joback Calculated Property |
| η | 0.0028515 | Pa×s | 267.12 | Joback Calculated Property |
| η | 0.0012038 | Pa×s | 312.98 | Joback Calculated Property |
| η | 0.0006335 | Pa×s | 358.83 | Joback Calculated Property |
| η | 0.0003856 | Pa×s | 404.69 | Joback Calculated Property |
| η | 0.0002596 | Pa×s | 450.54 | Joback Calculated Property |
| η | 0.0001881 | Pa×s | 496.40 | Joback Calculated Property |
| ΔvapH | 51.40 | kJ/mol | 438.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [377.83; 534.88] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42335e+01 | |||
| Coefficient B | -3.88952e+03 | |||
| Coefficient C | -9.89300e+01 | |||
| Temperature range, min. | 377.83 | |||
| Temperature range, max. | 534.88 | |||
| Pvap | 1.33 | kPa | 377.83 | Calculated Property |
| Pvap | 3.03 | kPa | 395.28 | Calculated Property |
| Pvap | 6.29 | kPa | 412.73 | Calculated Property |
| Pvap | 12.08 | kPa | 430.18 | Calculated Property |
| Pvap | 21.74 | kPa | 447.63 | Calculated Property |
| Pvap | 36.99 | kPa | 465.08 | Calculated Property |
| Pvap | 59.98 | kPa | 482.53 | Calculated Property |
| Pvap | 93.24 | kPa | 499.98 | Calculated Property |
| Pvap | 139.70 | kPa | 517.43 | Calculated Property |
| Pvap | 202.66 | kPa | 534.88 | Calculated Property |
Similar Compounds
Find more compounds similar to Dodecane, 3-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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