- InChI
- InChI=1S/C15H24O4/c1-6-8-12(7-2)19-14(17)10-9-13(16)18-11-15(3,4)5/h12H,7,9-11H2,1-5H3
- InChI Key
- PEMAPPXRABBIET-UHFFFAOYSA-N
- Formula
- C15H24O4
- SMILES
-
CC#CC(CC)OC(=O)CCC(=O)OCC(C)(C
)C - Molecular Weight1
- 268.35
- 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).
- 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 | 0.6412 | Relay (1.0) Calculated Property | |
| ΔfG° | -189.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -716.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.701 | Crippen Calculated Property | |
| McVol | 228.490 | ml/mol | McGowan Calculated Property |
| Pc | 1766.90 | kPa | Joback Calculated Property |
| Inp | 1712.00 | NIST | |
| Tboil | 539.96 | K | Relay (1.0) Calculated Property |
| Tc | 723.86 | K | Relay (1.0) Calculated Property |
| Tfus | 326.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.827 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [635.70; 719.42] | J/mol×K | [700.51; 901.64] | 
|
| Cp,gas | 635.70 | J/mol×K | 700.51 | Joback Calculated Property |
| Cp,gas | 651.93 | J/mol×K | 734.03 | Joback Calculated Property |
| Cp,gas | 667.23 | J/mol×K | 767.55 | Joback Calculated Property |
| Cp,gas | 681.60 | J/mol×K | 801.08 | Joback Calculated Property |
| Cp,gas | 695.07 | J/mol×K | 834.60 | Joback Calculated Property |
| Cp,gas | 707.67 | J/mol×K | 868.12 | Joback Calculated Property |
| Cp,gas | 719.42 | J/mol×K | 901.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hex-4-yn-3-yl neopentyl ester.
Sources
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