ChemSpider 2D Image | AL4900000 | C7H16O2

AL4900000

  • Molecular FormulaC7H16O2
  • Average mass132.201 Da
  • Monoisotopic mass132.115036 Da
  • ChemSpider ID21159488

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

126-84-1 [RN]
2,2-Diethoxypropan [German] [ACD/IUPAC Name]
2,2-Diethoxypropane [ACD/IUPAC Name]
2,2-Diéthoxypropane [French] [ACD/IUPAC Name]
204-808-6 [EINECS]
Acetone diethyl acetal
AL4900000
MFCD00009224 [MDL number]
Propane, 2,2-diethoxy- [ACD/Index Name]
"2,2-DIETHOXYPROPANE"
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

18I1QHH2K2 [DBID]
09652_FLUKA [DBID]
154857_SIAL [DBID]
270989_ALDRICH [DBID]
27227_RIEDEL [DBID]
319902_SIAL [DBID]
320307_ALDRICH [DBID]
33211_RIEDEL [DBID]
34490_RIEDEL [DBID]
34858_SIAL [DBID]
More...
  • Experimental Physico-chemical Properties
  • Gas Chromatography

    • Retention Index (Kovats):

      784 (estimated with error: 68) NIST Spectra mainlib_71247, replib_231745
      723 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 120 C; CAS no: 126841; Active phase: Apiezon L; Substrate: Celite 545; Data type: Kovats RI; Authors: Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192.) NIST Spectra nist ri
      731 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 160 C; CAS no: 126841; Active phase: Apiezon L; Substrate: Celite 545; Data type: Kovats RI; Authors: Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192.) NIST Spectra nist ri
      754 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 120 C; CAS no: 126841; Active phase: Apiezon L; Substrate: Celite 545; Data type: Kovats RI; Authors: Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192.) NIST Spectra nist ri
      761 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 160 C; CAS no: 126841; Active phase: Apiezon L; Substrate: Celite 545; Data type: Kovats RI; Authors: Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.8±0.1 g/cm3
Boiling Point: 114.0±0.0 °C at 760 mmHg
Vapour Pressure: 24.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 33.8±3.0 kJ/mol
Flash Point: 7.8±0.0 °C
Index of Refraction: 1.399
Molar Refractivity: 37.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.77
ACD/KOC (pH 5.5): 177.96
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 9.77
ACD/KOC (pH 7.4): 177.96
Polar Surface Area: 18 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 23.4±3.0 dyne/cm
Molar Volume: 156.9±3.0 cm3

Click to predict properties on the Chemicalize site


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