- InChI
- InChI=1S/C7H12O2/c8-7-5-3-1-2-4-6-9-7/h1-6H2
- InChI Key
- BTLSLHNLDQCWKS-UHFFFAOYSA-N
- Formula
- C7H12O2
- SMILES
- O=C1CCCCCCO1
- Molecular Weight1
- 128.17
- CAS
- 539-87-7
- 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).
- ΔfH°liquid : Liquid phase 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).
- 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 | 0.3407 | Relay (1.0) Calculated Property | |
| ΔfG° | -192.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -411.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°liquid | -465.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 7.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [53.30; 54.00] | kJ/mol |
|
| ΔvapH° | 54.00 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 54.00 | kJ/mol | NIST |
| ΔvapH° | 53.30 ± 1.30 | kJ/mol | NIST |
| IE | 9.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.494 | Crippen Calculated Property | |
| McVol | 106.070 | ml/mol | McGowan Calculated Property |
| Pc | 4026.13 | kPa | Joback Calculated Property |
| Tboil | 523.97 | K | Relay (1.0) Calculated Property |
| Tc | 737.17 | K | Relay (1.0) Calculated Property |
| Tfus | 279.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.365 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.72; 321.61] | J/mol×K | [487.09; 727.96] |
|
| Cp,gas | 231.72 | J/mol×K | 487.09 | Joback Calculated Property |
| Cp,gas | 248.85 | J/mol×K | 527.23 | Joback Calculated Property |
| Cp,gas | 265.16 | J/mol×K | 567.38 | Joback Calculated Property |
| Cp,gas | 280.62 | J/mol×K | 607.52 | Joback Calculated Property |
| Cp,gas | 295.20 | J/mol×K | 647.67 | Joback Calculated Property |
| Cp,gas | 308.87 | J/mol×K | 687.81 | Joback Calculated Property |
| Cp,gas | 321.61 | J/mol×K | 727.96 | Joback Calculated Property |
| ΔvapH | 48.20 ± 0.30 | kJ/mol | 379.00 | NIST |
Similar Compounds
Find more compounds similar to Heptanolactone.
Sources
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