- InChI
- InChI=1S/C18H34/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h1H,4-18H2,2H3
- InChI Key
- IYDNQWWOZQLMRH-UHFFFAOYSA-N
- Formula
- C18H34
- SMILES
- C#CCCCCCCCCCCCCCCCC
- Molecular Weight1
- 250.46
- CAS
- 629-89-0
- Other Names
-
- octadecyne
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7150 | KDB | |
| ΔfG° | 323.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -122.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.52 | kJ/mol | Joback Calculated Property |
| log10WS | -7.15 | Crippen Calculated Property | |
| logPoct/wat | 6.491 | Crippen Calculated Property | |
| McVol | 255.880 | ml/mol | McGowan Calculated Property |
| Pc | 1280.00 | kPa | KDB |
| Inp | 1238.00 | NIST | |
| Tboil | [586.00; 586.20] | K |
|
| Tboil | 586.20 | K | KDB |
| Tboil | 586.00 | K | NIST |
| Tc | 747.30 | K | KDB |
| Tfus | 300.00 | K | KDB |
| Vc | 1.006 | m3/kmol | KDB |
| Zc | 0.2071380 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [678.57; 782.86] | J/mol×K | [601.36; 766.71] |
|
| Cp,gas | 678.57 | J/mol×K | 601.36 | Joback Calculated Property |
| Cp,gas | 697.89 | J/mol×K | 628.92 | Joback Calculated Property |
| Cp,gas | 716.39 | J/mol×K | 656.48 | Joback Calculated Property |
| Cp,gas | 734.12 | J/mol×K | 684.04 | Joback Calculated Property |
| Cp,gas | 751.08 | J/mol×K | 711.60 | Joback Calculated Property |
| Cp,gas | 767.32 | J/mol×K | 739.15 | Joback Calculated Property |
| Cp,gas | 782.86 | J/mol×K | 766.71 | Joback Calculated Property |
| ΔvapH | 64.90 | kJ/mol | 536.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 453.20 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [448.93; 619.73] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54537e+01 | |||
| Coefficient B | -5.22966e+03 | |||
| Coefficient C | -1.04102e+02 | |||
| Temperature range, min. | 448.93 | |||
| Temperature range, max. | 619.73 | |||
| Pvap | 1.33 | kPa | 448.93 | Calculated Property |
| Pvap | 2.94 | kPa | 467.91 | Calculated Property |
| Pvap | 6.00 | kPa | 486.89 | Calculated Property |
| Pvap | 11.44 | kPa | 505.86 | Calculated Property |
| Pvap | 20.57 | kPa | 524.84 | Calculated Property |
| Pvap | 35.18 | kPa | 543.82 | Calculated Property |
| Pvap | 57.54 | kPa | 562.80 | Calculated Property |
| Pvap | 90.51 | kPa | 581.77 | Calculated Property |
| Pvap | 137.53 | kPa | 600.75 | Calculated Property |
| Pvap | 202.63 | kPa | 619.73 | Calculated Property |
| Pvap | [3.82; 1322.70] | kPa | [469.15; 747.33] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | -2.77078e-01 | |||
| Coefficient B | -7.38386e+03 | |||
| Coefficient C | 2.96884e+00 | |||
| Coefficient D | -4.11555e-06 | |||
| Temperature range, min. | 469.15 | |||
| Temperature range, max. | 747.33 | |||
| Pvap | 3.82 | kPa | 469.15 | Calculated Property |
| Pvap | 10.79 | kPa | 500.06 | Calculated Property |
| Pvap | 26.70 | kPa | 530.97 | Calculated Property |
| Pvap | 59.07 | kPa | 561.88 | Calculated Property |
| Pvap | 118.64 | kPa | 592.79 | Calculated Property |
| Pvap | 219.11 | kPa | 623.69 | Calculated Property |
| Pvap | 375.99 | kPa | 654.60 | Calculated Property |
| Pvap | 604.65 | kPa | 685.51 | Calculated Property |
| Pvap | 917.78 | kPa | 716.42 | Calculated Property |
| Pvap | 1322.70 | kPa | 747.33 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Octadecyne.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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