ChemSpider 2D Image | AS1370000 | C7H14O2

AS1370000

  • Molecular FormulaC7H14O2
  • Average mass130.185 Da
  • Monoisotopic mass130.099380 Da
  • ChemSpider ID21106499

More details:






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

1-Propene, 3,3-diethoxy- [ACD/Index Name]
221-276-0 [EINECS]
3,3-Diethoxy-1-propen [German] [ACD/IUPAC Name]
3,3-Diethoxy-1-propene [ACD/IUPAC Name]
3,3-Diéthoxy-1-propène [French] [ACD/IUPAC Name]
3,3-diethoxyprop-1-ene
3054-95-3 [RN]
Acrolein Diethyl Acetal
Acrolein diethylacetal
AS1370000
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

33XN703369 [DBID]
MFCD00009239 [DBID]
01690_FLUKA [DBID]
A24001_ALDRICH [DBID]
BRN 1701567 [DBID]
CCRIS 3496 [DBID]
NSC 60135 [DBID]
NSC60135 [DBID]
UN2374 [DBID]
UNII:33XN703369 [DBID]
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      11/1/1936 12:00:00 AM Alfa Aesar B24821
      11-36 Alfa Aesar B24821
      3 Alfa Aesar B24821
      9-16-26-33 Alfa Aesar B24821
      Danger Alfa Aesar B24821
      DANGER: FLAMMABLE, irritates skin and eyes Alfa Aesar B24821
      DANGER: FLAMMABLE, irritates skin, eyes, lungs Alfa Aesar B24821
      H225-H319 Alfa Aesar B24821
      Highly Flammable/Irritant/Moisture Sensitive/Store under Argon SynQuest 2308-1-05, 80348
      Nov-36 Alfa Aesar B24821
      P210-P280-P303+P361+P353-P305+P351+P338-P403+P235-P501a Alfa Aesar B24821
  • Gas Chromatography
    • Retention Index (Kovats):

      795 (estimated with error: 68) NIST Spectra mainlib_229997, replib_2887, replib_160820
      768 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 120 C; CAS no: 3054953; 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
      772 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 160 C; CAS no: 3054953; 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
    • Retention Index (Normal Alkane):

      780 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.24 mm; Column length: 50 m; Column type: Capillary; CAS no: 3054953; Active phase: OV-101; Carrier gas: He; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Malamakhov, A.C., Evaluation of Molecular Weights of Organic Compounds based on Retention Parameters at Chromato-Spectral Analysys. Additional Criterion of Molecular Ions' Identification, Vestn. St. Petersb. Univ. Ser. 4: Fiz. Khim, , 1987, 101-106, In original 101-106.) NIST Spectra nist ri

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

Density: 0.9±0.1 g/cm3
Boiling Point: 123.5±0.0 °C at 760 mmHg
Vapour Pressure: 16.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 34.7±3.0 kJ/mol
Flash Point: 4.4±0.0 °C
Index of Refraction: 1.409
Molar Refractivity: 37.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 6.46
ACD/KOC (pH 5.5): 132.34
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.46
ACD/KOC (pH 7.4): 132.34
Polar Surface Area: 18 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 23.8±3.0 dyne/cm
Molar Volume: 152.3±3.0 cm3

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