Chemical Properties of 2,2'-Bipyridine, 4,4'-dimethyl- (CAS 1134-35-6)

InChI

InChI=1S/C12H12N2/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3-8H,1-2H3

InChI Key

NBPGPQJFYXNFKN-UHFFFAOYSA-N

Formula

C12H12N2

SMILES

Cc1ccnc(-c2cc(C)ccn2)c1

Molecular Weight¹

184.24

CAS

1134-35-6

Other Names

• 2,2'-Bi-4-picoline
• 2,2'-Bipyridyl, 4,4'-dimethyl-
• 4,4'-Dimethyl-2,2'-bipyridyl
• 4,4'-Dimethyl-2,2'-dipyridyl
• 4,4'-dimethyl-2,2'-bipyridine

• ω : Acentric Factor.
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4809		Relay (1.0) Calculated Property
BasG	951.00	kJ/mol	NIST
ΔcH°solid	-6546.70 ± 3.00	kJ/mol	NIST
ΔfH°gas	209.30 ± 4.10	kJ/mol	NIST
ΔfH°solid	109.60 ± 3.40	kJ/mol	NIST
ΔsubH°	[99.70; 99.70]	kJ/mol
ΔsubH°	99.70 ± 2.30	kJ/mol	NIST
ΔsubH°	99.70 ± 2.30	kJ/mol	NIST
ΔsubH°	99.70	kJ/mol	NIST
ΔvapH°	78.73	kJ/mol	Relay (1.0) Calculated Property
IE	[8.20; 8.53]	eV
IE	8.20	eV	NIST
IE	8.53 ± 0.03	eV	NIST
log10WS	-2.57		Relay (1.0) Calculated Property
logPoct/wat	2.760		Crippen Calculated Property
McVol	152.380	ml/mol	McGowan Calculated Property
Pc	3652.73	kPa	Relay (1.0-beta) Calculated Property
Tboil	579.05	K	Relay (1.0) Calculated Property
Tc	822.84	K	Relay (1.0) Calculated Property
Tfus	342.18	K	Relay (1.0) Calculated Property
Vc	0.583	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Similar Compounds

Find more compounds similar to 2,2'-Bipyridine, 4,4'-dimethyl-.

Mixtures

• 2,2'-Bipyridine, 4,4'-dimethyl- + Carbon dioxide

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Solubilities of 2,2'-Bipyridine and 4,4'-Dimethyl-2,2'-bipyridine in Supercritical Carbon Dioxide
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.