- InChI
- InChI=1S/C7H13ClO/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3
- InChI Key
- UCVODTZQZHMTPN-UHFFFAOYSA-N
- Formula
- C7H13ClO
- SMILES
- CCCCCCC(=O)Cl
- Molecular Weight1
- 148.63
- CAS
- 2528-61-2
- Other Names
-
- Enanthoyl chloride
- Enanthyl chloride
- n-Heptanoyl chloride
- 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.
- 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 | 0.4814 | Relay (1.0) Calculated Property | |
| ΔfG° | -132.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -347.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.722 | Crippen Calculated Property | |
| McVol | 123.300 | ml/mol | McGowan Calculated Property |
| Pc | 2878.12 | kPa | Joback Calculated Property |
| Inp | 1012.10 | NIST | |
| Tboil | [397.00; 446.20] | K |
|
| Tboil | 446.20 | K | NIST |
| Tboil | 398.40 | K | NIST |
| Tboil | 397.00 ± 4.00 | K | NIST |
| Tboil | 418.00 ± 4.00 | K | NIST |
| Tc | 627.59 | K | Relay (1.0) Calculated Property |
| Tfus | 189.25 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.464 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 63.70 | kJ/mol | 362.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [168.31; 377.75] | 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 | 1.67750e+01 | |||
| Coefficient B | 6.47620e-01 | |||
| Coefficient C | -3.58700e-04 | |||
| Coefficient D | 7.20600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 168.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 204.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 236.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 265.12 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 290.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 313.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 332.88 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 350.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 364.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 377.75 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0235361; 0.0003508] | Pa×s | [189.25; 444.13] |
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 | -1.10785e+01 | |||
| Coefficient B | 1.38707e+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. | 189.25 | |||
| Temperature range, max. | 444.13 | |||
| η | 0.0235361 | Pa×s | 189.25 | Calculated Property |
| η | 0.0090658 | Pa×s | 217.57 | Calculated Property |
| η | 0.0043503 | Pa×s | 245.89 | Calculated Property |
| η | 0.0024294 | Pa×s | 274.21 | Calculated Property |
| η | 0.0015131 | Pa×s | 302.53 | Calculated Property |
| η | 0.0010219 | Pa×s | 330.85 | Calculated Property |
| η | 0.0007343 | Pa×s | 359.17 | Calculated Property |
| η | 0.0005537 | Pa×s | 387.49 | Calculated Property |
| η | 0.0004339 | Pa×s | 415.81 | Calculated Property |
| η | 0.0003508 | Pa×s | 444.13 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [336.55; 505.57] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.29439e+01 | |||
| Coefficient B | -1.34400e+04 | |||
| Coefficient C | 2.56668e+02 | |||
| Temperature range, min. | 336.55 | |||
| Temperature range, max. | 505.57 | |||
| Pvap | 1.33 | kPa | 336.55 | Calculated Property |
| Pvap | 2.67 | kPa | 355.33 | Calculated Property |
| Pvap | 5.14 | kPa | 374.11 | Calculated Property |
| Pvap | 9.52 | kPa | 392.89 | Calculated Property |
| Pvap | 17.02 | kPa | 411.67 | Calculated Property |
| Pvap | 29.49 | kPa | 430.45 | Calculated Property |
| Pvap | 49.61 | kPa | 449.23 | Calculated Property |
| Pvap | 81.26 | kPa | 468.01 | Calculated Property |
| Pvap | 129.82 | kPa | 486.79 | Calculated Property |
| Pvap | 202.67 | kPa | 505.57 | Calculated Property |
| Pvap | [0.13; 99.92] | kPa | [307.40; 418.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.09097e+01 | |||
| Coefficient B | -6.25274e+03 | |||
| Coefficient C | -3.45200e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 307.40 | |||
| Temperature range, max. | 418.00 | |||
| Pvap | 0.13 | kPa | 307.40 | Calculated Property |
| Pvap | 0.36 | kPa | 319.69 | Calculated Property |
| Pvap | 0.89 | kPa | 331.98 | Calculated Property |
| Pvap | 2.06 | kPa | 344.27 | Calculated Property |
| Pvap | 4.45 | kPa | 356.56 | Calculated Property |
| Pvap | 9.09 | kPa | 368.84 | Calculated Property |
| Pvap | 17.64 | kPa | 381.13 | Calculated Property |
| Pvap | 32.71 | kPa | 393.42 | Calculated Property |
| Pvap | 58.24 | kPa | 405.71 | Calculated Property |
| Pvap | 99.92 | kPa | 418.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptanoyl 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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