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2,5-octadiene

ChemSpider ID: 20481650
Molecular Formula: C₈H₁₄
Monoisotopic mass: 110.110000610352 Da
Systematic name

2,5-Octadiene
SMILES and InChIs

SMILES:

CC=CCC=CCC Copied

Std. InChI:

InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3,5-6,8H,4,7H2,1-2H3 Copied

Std. InChIKey:

GDDAJHJRAKOILH-UHFFFAOYSA-N Copied

Names and Identifiers

Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

2,5-octadiene

cis-2,cis-5-octadiene

cis-2,trans-5-octadiene

trans-2,cis-5-octadiene

trans-2,trans-5-octadiene

octa-2,5-diene

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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:	3.97	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	3.97	ACD/LogD (pH 7.4):	3.97
ACD/BCF (pH 5.5):	612.89	ACD/BCF (pH 7.4):	612.89
ACD/KOC (pH 5.5):	3442.00	ACD/KOC (pH 7.4):	3442.00
#H bond acceptors:	0	#H bond donors:	0
#Freely Rotating Bonds:	3	Polar Surface Area:	0 Å²
Index of Refraction:	1.443	Molar Refractivity:	39.227 cm³
Molar Volume:	147.819 cm³	Polarizability:	15.551 10^-24cm³
Surface Tension:	23.3250007629395 dyne/cm	Density:	0.746 g/cm³
Flash Point:	15.076 °C	Enthalpy of Vaporization:	34.635 kJ/mol
Boiling Point:	123.319 °C at 760 mmHg	Vapour Pressure:	16.1580009460449 mmHg at 25°C

Click to predict properties on the Chemicalize site

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