- InChI
- InChI=1S/C7H11Cl/c1-2-3-4-5-6-7-8/h2,5-7H2,1H3
- InChI Key
- NFSWUGZOVBYRKR-UHFFFAOYSA-N
- Formula
- C7H11Cl
- SMILES
- CCC#CCCCCl
- Molecular Weight1
- 130.62
- CAS
- 51575-85-0
- Other Names
-
- 7-Chloro-3-heptyne
- 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).
- 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 | 0.2725 | Relay (1.0) Calculated Property | |
| ΔfG° | 198.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 53.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.419 | Crippen Calculated Property | |
| McVol | 113.130 | ml/mol | McGowan Calculated Property |
| Pc | 3202.78 | kPa | Joback Calculated Property |
| Tboil | 420.56 | K | Relay (1.0) Calculated Property |
| Tc | 634.77 | K | Relay (1.0) Calculated Property |
| Tfus | 185.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.412 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [150.49; 327.61] | 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 | 2.69740e+01 | |||
| Coefficient B | 5.25820e-01 | |||
| Coefficient C | -2.85260e-04 | |||
| Coefficient D | 6.00800e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 150.49 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 179.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 206.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 230.41 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 251.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 270.83 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 287.75 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 302.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 315.95 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 327.61 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [330.72; 496.84] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.34177e+01 | |||
| Coefficient B | -3.51943e+03 | |||
| Coefficient C | -6.26780e+01 | |||
| Temperature range, min. | 330.72 | |||
| Temperature range, max. | 496.84 | |||
| Pvap | 1.33 | kPa | 330.72 | Calculated Property |
| Pvap | 3.11 | kPa | 349.18 | Calculated Property |
| Pvap | 6.53 | kPa | 367.64 | Calculated Property |
| Pvap | 12.62 | kPa | 386.09 | Calculated Property |
| Pvap | 22.72 | kPa | 404.55 | Calculated Property |
| Pvap | 38.49 | kPa | 423.01 | Calculated Property |
| Pvap | 61.96 | kPa | 441.47 | Calculated Property |
| Pvap | 95.41 | kPa | 459.92 | Calculated Property |
| Pvap | 141.39 | kPa | 478.38 | Calculated Property |
| Pvap | 202.65 | kPa | 496.84 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Heptyne, 7-chloro-.
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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