- InChI
- InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1H,4-13H2,2H3
- InChI Key
- GZEDKDBFUBPZNG-UHFFFAOYSA-N
- Formula
- C13H24
- SMILES
- C#CCCCCCCCCCCC
- Molecular Weight1
- 180.33
- CAS
- 26186-02-7
- Other Names
-
- 1-C13H24
- tridec-1-yne
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5413 | Relay (1.0) Calculated Property | |
| ΔfG° | 281.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -43.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.90 ± 0.02 | eV | NIST |
| log10WS | -6.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.540 | Crippen Calculated Property | |
| McVol | 185.430 | ml/mol | McGowan Calculated Property |
| Pc | 1861.11 | kPa | Joback Calculated Property |
| Inp | [1283.00; 1313.00] |
|
|
| Inp | 1283.00 | NIST | |
| Inp | 1313.00 | NIST | |
| Inp | 1296.00 | NIST | |
| Inp | 1297.00 | NIST | |
| Inp | 1298.00 | NIST | |
| Ip | [1503.80; 1533.00] |
|
|
| Ip | 1533.00 | NIST | |
| Ip | 1533.00 | NIST | |
| Ip | 1533.00 | NIST | |
| Ip | 1532.00 | NIST | |
| Ip | 1533.00 | NIST | |
| Ip | 1503.80 | NIST | |
| Ip | 1526.10 | NIST | |
| Ip | 1506.70 | NIST | |
| Ip | 1527.20 | NIST | |
| Ip | 1533.00 | NIST | |
| Ip | 1503.80 | NIST | |
| Tboil | 506.30 | K | Relay (1.0) Calculated Property |
| Tc | 686.72 | K | Relay (1.0) Calculated Property |
| Tfus | [268.15; 274.00] | K |
|
| Tfus | 268.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 274.00 ± 3.00 | K | NIST |
| Vc | 0.714 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 367.60 | K | 3.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [270.08; 632.33] | 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 | 4.85000e+00 | |||
| Coefficient B | 1.14492e+00 | |||
| Coefficient C | -6.79330e-04 | |||
| Coefficient D | 1.61890e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 270.08 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 332.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 387.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 436.61 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 480.24 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 518.79 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 552.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 582.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 609.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 632.33 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [385.73; 535.14] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.55192e+01 | |||
| Coefficient B | -4.62412e+03 | |||
| Coefficient C | -8.21400e+01 | |||
| Temperature range, min. | 385.73 | |||
| Temperature range, max. | 535.14 | |||
| Pvap | 1.33 | kPa | 385.73 | Calculated Property |
| Pvap | 2.94 | kPa | 402.33 | Calculated Property |
| Pvap | 5.99 | kPa | 418.93 | Calculated Property |
| Pvap | 11.41 | kPa | 435.53 | Calculated Property |
| Pvap | 20.52 | kPa | 452.13 | Calculated Property |
| Pvap | 35.09 | kPa | 468.74 | Calculated Property |
| Pvap | 57.43 | kPa | 485.34 | Calculated Property |
| Pvap | 90.38 | kPa | 501.94 | Calculated Property |
| Pvap | 137.43 | kPa | 518.54 | Calculated Property |
| Pvap | 202.64 | kPa | 535.14 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Tridecyne.
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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