- InChI
- InChI=1S/C11H21ClO2/c1-3-4-5-6-7-8-14-11(13)9-10(2)12/h10H,3-9H2,1-2H3
- InChI Key
- IVSMBZGOSOEERU-UHFFFAOYSA-N
- Formula
- C11H21ClO2
- SMILES
- CCCCCCCOC(=O)CC(C)Cl
- Molecular Weight1
- 220.74
- Other Names
-
- Heptyl 3-chlorobutanoate
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -206.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -536.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.23 | kJ/mol | Joback Calculated Property |
| log10WS | -3.55 | Crippen Calculated Property | |
| logPoct/wat | 3.517 | Crippen Calculated Property | |
| McVol | 185.530 | ml/mol | McGowan Calculated Property |
| Pc | 1963.07 | kPa | Joback Calculated Property |
| Inp | [1425.00; 1446.00] |
|
|
| Inp | 1443.00 | NIST | |
| Inp | 1446.00 | NIST | |
| Inp | 1429.00 | NIST | |
| Inp | 1428.00 | NIST | |
| Inp | 1428.00 | NIST | |
| Inp | 1436.00 | NIST | |
| Inp | 1425.00 | NIST | |
| Inp | 1443.00 | NIST | |
| Inp | 1436.00 | NIST | |
| Tboil | 564.36 | K | Joback Calculated Property |
| Tc | 743.50 | K | Joback Calculated Property |
| Tfus | 300.81 | K | Joback Calculated Property |
| Vc | 0.719 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [446.93; 525.87] | J/mol×K | [564.36; 743.50] |
|
| Cp,gas | 446.93 | J/mol×K | 564.36 | Joback Calculated Property |
| Cp,gas | 461.63 | J/mol×K | 594.22 | Joback Calculated Property |
| Cp,gas | 475.70 | J/mol×K | 624.07 | Joback Calculated Property |
| Cp,gas | 489.15 | J/mol×K | 653.93 | Joback Calculated Property |
| Cp,gas | 501.98 | J/mol×K | 683.78 | Joback Calculated Property |
| Cp,gas | 514.22 | J/mol×K | 713.64 | Joback Calculated Property |
| Cp,gas | 525.87 | J/mol×K | 743.50 | Joback Calculated Property |
| η | [0.0001859; 0.0036823] | Pa×s | [300.81; 564.36] |
|
| η | 0.0036823 | Pa×s | 300.81 | Joback Calculated Property |
| η | 0.0016303 | Pa×s | 344.74 | Joback Calculated Property |
| η | 0.0008677 | Pa×s | 388.66 | Joback Calculated Property |
| η | 0.0005249 | Pa×s | 432.59 | Joback Calculated Property |
| η | 0.0003484 | Pa×s | 476.51 | Joback Calculated Property |
| η | 0.0002478 | Pa×s | 520.44 | Joback Calculated Property |
| η | 0.0001859 | Pa×s | 564.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 3-chloro, heptyl ester.
Sources
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