- InChI
- InChI=1S/C16H34/c1-4-6-7-8-9-10-11-12-13-15-16(3)14-5-2/h16H,4-15H2,1-3H3
- InChI Key
- ODDVOCXSLXTIIU-UHFFFAOYSA-N
- Formula
- C16H34
- SMILES
- CCCCCCCCCCCC(C)CCC
- Molecular Weight1
- 226.44
- CAS
- 2801-87-8
- Other Names
-
- 4-Methylpentadecane
- 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.
- 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 | 0.6751 | Relay (1.0) Calculated Property | |
| ΔfG° | 81.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -379.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.344 | Crippen Calculated Property | |
| McVol | 236.300 | ml/mol | McGowan Calculated Property |
| Pc | 1326.17 | kPa | Joback Calculated Property |
| Inp | [1554.00; 1560.00] |
|
|
| Inp | 1560.00 | NIST | |
| Inp | 1557.00 | NIST | |
| Inp | 1560.00 | NIST | |
| Inp | 1554.00 | NIST | |
| Inp | 1556.00 | NIST | |
| I | 1555.00 | NIST | |
| Tboil | 539.17 | K | Relay (1.0) Calculated Property |
| Tc | 703.34 | K | Relay (1.0) Calculated Property |
| Tfus | 250.00 ± 2.00 | K | NIST |
| Vc | 0.922 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [611.96; 717.90] | J/mol×K | [565.04; 726.28] |
|
| Cp,gas | 611.96 | J/mol×K | 565.04 | Joback Calculated Property |
| Cp,gas | 631.47 | J/mol×K | 591.91 | Joback Calculated Property |
| Cp,gas | 650.21 | J/mol×K | 618.79 | Joback Calculated Property |
| Cp,gas | 668.20 | J/mol×K | 645.66 | Joback Calculated Property |
| Cp,gas | 685.47 | J/mol×K | 672.53 | Joback Calculated Property |
| Cp,gas | 702.03 | J/mol×K | 699.40 | Joback Calculated Property |
| Cp,gas | 717.90 | J/mol×K | 726.28 | Joback Calculated Property |
| η | [0.0001427; 0.0077044] | Pa×s | [255.08; 565.04] |
|
| η | 0.0077044 | Pa×s | 255.08 | Joback Calculated Property |
| η | 0.0022640 | Pa×s | 306.74 | Joback Calculated Property |
| η | 0.0009470 | Pa×s | 358.40 | Joback Calculated Property |
| η | 0.0004934 | Pa×s | 410.06 | Joback Calculated Property |
| η | 0.0002974 | Pa×s | 461.72 | Joback Calculated Property |
| η | 0.0001985 | Pa×s | 513.38 | Joback Calculated Property |
| η | 0.0001427 | Pa×s | 565.04 | Joback Calculated Property |
| ΔvapH | 57.80 | kJ/mol | 482.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [411.85; 584.86] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.73871e+01 | |||
| Coefficient B | -7.11088e+03 | |||
| Coefficient C | 4.00100e+00 | |||
| Temperature range, min. | 411.85 | |||
| Temperature range, max. | 584.86 | |||
| Pvap | 1.33 | kPa | 411.85 | Calculated Property |
| Pvap | 2.84 | kPa | 431.07 | Calculated Property |
| Pvap | 5.67 | kPa | 450.30 | Calculated Property |
| Pvap | 10.70 | kPa | 469.52 | Calculated Property |
| Pvap | 19.22 | kPa | 488.74 | Calculated Property |
| Pvap | 33.04 | kPa | 507.97 | Calculated Property |
| Pvap | 54.62 | kPa | 527.19 | Calculated Property |
| Pvap | 87.18 | kPa | 546.41 | Calculated Property |
| Pvap | 134.82 | kPa | 565.64 | Calculated Property |
| Pvap | 202.65 | kPa | 584.86 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecane, 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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