- 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
- 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 | 0.5720 | Relay (1.0) Calculated Property | |
| ΔfG° | 56.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -323.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | 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 | [1268.00; 1280.00] |
|
|
| 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 | |
| Inp | 1270.00 | NIST | |
| Tboil | 495.35 | K | Relay (1.0) Calculated Property |
| Tc | 665.53 | K | Relay (1.0) Calculated Property |
| Tfus | [212.30; 220.15] | K |
|
| Tfus | 220.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 212.30 ± 2.00 | K | NIST |
| Tfus | 213.70 ± 5.00 | K | NIST |
| Vc | 0.753 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 51.40 | kJ/mol | 438.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.95; 690.55] | 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 | -1.06110e+01 | |||
| Coefficient B | 1.24476e+00 | |||
| Coefficient C | -6.86600e-04 | |||
| Coefficient D | 1.43000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 280.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 350.16 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 412.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 468.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 517.71 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 561.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 600.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 634.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 664.51 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 690.55 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0117268; 0.0002381] | Pa×s | [215.38; 461.99] |
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 | -1.17461e+01 | |||
| Coefficient B | 1.57234e+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. | 215.38 | |||
| Temperature range, max. | 461.99 | |||
| η | 0.0117268 | Pa×s | 215.38 | Calculated Property |
| η | 0.0051448 | Pa×s | 242.78 | Calculated Property |
| η | 0.0026676 | Pa×s | 270.18 | Calculated Property |
| η | 0.0015610 | Pa×s | 297.59 | Calculated Property |
| η | 0.0009999 | Pa×s | 324.99 | Calculated Property |
| η | 0.0006864 | Pa×s | 352.39 | Calculated Property |
| η | 0.0004975 | Pa×s | 379.79 | Calculated Property |
| η | 0.0003765 | Pa×s | 407.19 | Calculated Property |
| η | 0.0002951 | Pa×s | 434.59 | Calculated Property |
| η | 0.0002381 | Pa×s | 461.99 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [377.83; 534.88] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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