2D

3D

Save

Zoom

2-Methyl-1-propene hydrate (1:1)

ChemSpider ID: 14454690
Molecular Formula: C₄H₁₀O
Average mass: 74.121597 Da
Monoisotopic mass: 74.073166 Da
Systematic name

2-Methyl-1-propene hydrate (1:1)
SMILES and InChIs

SMILES:

O.CC(C)=C Copied

Std. InChI:

InChI=1S/C4H8.H2O/c1-4(2)3;/h1H2,2-3H3;1H2 Copied

Std. InChIKey:

HQCNSHPBVRWXGH-UHFFFAOYSA-N Copied
Cite this record
CSID:14454690, http://www.chemspider.com/Chemical-Structure.14454690.html (accessed 03:12, May 24, 2012) Copied

ChemSpider Searches

Properties

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	1.012	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	1.01	ACD/LogD (pH 7.4):	1.01
ACD/BCF (pH 5.5):	3.46	ACD/BCF (pH 7.4):	3.46
ACD/KOC (pH 5.5):	84.60	ACD/KOC (pH 7.4):	84.60
#H bond acceptors:	1	#H bond donors:	2
#Freely Rotating Bonds:	0	Polar Surface Area:	Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	14.9 °C	Enthalpy of Vaporization:	38.26 kJ/mol
Boiling Point:	101 °C at 760 mmHg	Vapour Pressure:	23.3 mmHg at 25°C

Click to predict properties on the Chemicalize site

Spectra

CIFs

Patents

Pharmacological Links

Feedback Form