- InChI
- InChI=1S/C13H28/c1-4-6-7-8-9-10-12-13(3)11-5-2/h13H,4-12H2,1-3H3
- InChI Key
- UZTXSMATBUWDDZ-UHFFFAOYSA-N
- Formula
- C13H28
- SMILES
- CCCCCCCCC(C)CCC
- Molecular Weight1
- 184.36
- CAS
- 6117-97-1
- Other Names
-
- 4-Methyldodecane
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.5664 | Relay (1.0) Calculated Property | |
| ΔfG° | 56.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -316.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.65 | Relay (1.0) 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 | [1255.00; 1261.00] |
|
|
| Inp | 1258.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1259.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1260.48 | NIST | |
| Inp | 1260.29 | NIST | |
| Inp | 1260.60 | NIST | |
| Inp | 1259.69 | NIST | |
| Inp | 1259.75 | NIST | |
| Inp | 1259.86 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1259.00 | NIST | |
| Inp | 1259.00 | NIST | |
| Inp | 1260.80 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | Outlier 1255.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1259.00 | NIST | |
| Tboil | 491.57 | K | Relay (1.0) Calculated Property |
| Tc | 659.49 | K | Relay (1.0) Calculated Property |
| Tfus | 223.70 ± 2.00 | K | NIST |
| Vc | 0.747 | m3/kmol | Relay (1.0) 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 | 52.00 | kJ/mol | 436.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [372.82; 529.90] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.72811e+01 | |||
| Coefficient B | -6.35981e+03 | |||
| Coefficient C | 1.42600e+00 | |||
| Temperature range, min. | 372.82 | |||
| Temperature range, max. | 529.90 | |||
| Pvap | 1.33 | kPa | 372.82 | Calculated Property |
| Pvap | 2.84 | kPa | 390.27 | Calculated Property |
| Pvap | 5.68 | kPa | 407.73 | Calculated Property |
| Pvap | 10.73 | kPa | 425.18 | Calculated Property |
| Pvap | 19.28 | kPa | 442.63 | Calculated Property |
| Pvap | 33.14 | kPa | 460.09 | Calculated Property |
| Pvap | 54.76 | kPa | 477.54 | Calculated Property |
| Pvap | 87.34 | kPa | 494.99 | Calculated Property |
| Pvap | 134.95 | kPa | 512.45 | Calculated Property |
| Pvap | 202.64 | kPa | 529.90 | Calculated Property |
Similar Compounds
Find more compounds similar to Dodecane, 4-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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