- InChI
- InChI=1S/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3
- InChI Key
- XGISHOFUAFNYQF-UHFFFAOYSA-N
- Formula
- C5H9ClO
- SMILES
- CCCCC(=O)Cl
- Molecular Weight1
- 120.58
- CAS
- 638-29-9
- Other Names
-
- UN 2502
- Valeroyl chloride
- Valeryl chloride
- n-Valeroyl chloride
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- 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 | 0.3879 | Relay (1.0) Calculated Property | |
| ΔfG° | -149.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -298.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.942 | Crippen Calculated Property | |
| McVol | 95.120 | ml/mol | McGowan Calculated Property |
| Pc | 3577.07 | kPa | Joback Calculated Property |
| Inp | 809.40 | NIST | |
| Tboil | [399.20; 400.40] | K |
|
| Tboil | 399.20 | K | NIST |
| Tboil | 400.40 ± 0.60 | K | NIST |
| Tc | 577.91 | K | Relay (1.0) Calculated Property |
| Tfus | 163.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.354 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 187.90 | J/mol×K | 298.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [125.88; 274.57] | 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 | 1.85930e+01 | |||
| Coefficient B | 4.57620e-01 | |||
| Coefficient C | -2.49900e-04 | |||
| Coefficient D | 4.82600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 125.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 151.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 174.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 194.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 212.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 228.82 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 242.85 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 255.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 265.57 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 274.57 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0289507; 0.0003369] | Pa×s | [163.15; 414.24] |
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 | -1.08897e+01 | |||
| Coefficient B | 1.19875e+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. | 163.15 | |||
| Temperature range, max. | 414.24 | |||
| η | 0.0289507 | Pa×s | 163.15 | Calculated Property |
| η | 0.0099009 | Pa×s | 191.05 | Calculated Property |
| η | 0.0044509 | Pa×s | 218.95 | Calculated Property |
| η | 0.0023972 | Pa×s | 246.85 | Calculated Property |
| η | 0.0014640 | Pa×s | 274.75 | Calculated Property |
| η | 0.0009792 | Pa×s | 302.64 | Calculated Property |
| η | 0.0007009 | Pa×s | 330.54 | Calculated Property |
| η | 0.0005286 | Pa×s | 358.44 | Calculated Property |
| η | 0.0004152 | Pa×s | 386.34 | Calculated Property |
| η | 0.0003369 | Pa×s | 414.24 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.91; 202.64] | kPa | [307.00; 447.17] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.66775e+01 | |||
| Coefficient B | -4.93981e+03 | |||
| Coefficient C | -1.25600e+01 | |||
| Temperature range, min. | 307.00 | |||
| Temperature range, max. | 447.17 | |||
| Pvap | 0.91 | kPa | 307.00 | Calculated Property |
| Pvap | 2.10 | kPa | 322.57 | Calculated Property |
| Pvap | 4.51 | kPa | 338.15 | Calculated Property |
| Pvap | 9.01 | kPa | 353.72 | Calculated Property |
| Pvap | 16.95 | kPa | 369.30 | Calculated Property |
| Pvap | 30.25 | kPa | 384.87 | Calculated Property |
| Pvap | 51.54 | kPa | 400.45 | Calculated Property |
| Pvap | 84.26 | kPa | 416.02 | Calculated Property |
| Pvap | 132.82 | kPa | 431.60 | Calculated Property |
| Pvap | 202.64 | kPa | 447.17 | Calculated Property |
Similar Compounds
Find more compounds similar to PENTANOYL CHLORIDE.
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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