Chemical Properties of trans (cis,cis)-Bicyclo[10.1.0]trideca-4,8-diene

InChI

InChI=1S/C12H18/c1-2-4-6-8-11-10-12(11)9-7-5-3-1/h2,4-5,7,11-12H,1,3,6,8-10H2/b4-2-,7-5+

InChI Key

XCVZOUWBCYZZSQ-ILNZVKDWSA-N

Formula

C12H18

SMILES

C1=C\CCC2CC2C/C=C\CC/1

Molecular Weight¹

162.28

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	113.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.95	kJ/mol	Joback Calculated Property
ΔvapH°	63.10	kJ/mol	Relay (1.0) Calculated Property
IE	8.55	eV	Relay (1.0) Calculated Property
logPoct/wat	3.699		Crippen Calculated Property
McVol	149.620	ml/mol	McGowan Calculated Property
Inp	[1382.00; 1382.00]
Inp	1382.00		NIST
Inp	1382.00		NIST
Tboil	502.24	K	Relay (1.0) Calculated Property
Tfus	283.40	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[349.94; 469.20]	J/mol×K	[511.38; 748.33]
Cp,gas	349.94	J/mol×K	511.38	Joback Calculated Property
Cp,gas	373.54	J/mol×K	550.87	Joback Calculated Property
Cp,gas	395.57	J/mol×K	590.36	Joback Calculated Property
Cp,gas	416.09	J/mol×K	629.85	Joback Calculated Property
Cp,gas	435.17	J/mol×K	669.35	Joback Calculated Property
Cp,gas	452.85	J/mol×K	708.84	Joback Calculated Property
Cp,gas	469.20	J/mol×K	748.33	Joback Calculated Property
η	[0.0002539; 0.0067331]	Pa×s	[241.28; 511.38]
η	0.0067331	Pa×s	241.28	Joback Calculated Property
η	0.0025376	Pa×s	286.30	Joback Calculated Property
η	0.0012468	Pa×s	331.31	Joback Calculated Property
η	0.0007261	Pa×s	376.33	Joback Calculated Property
η	0.0004747	Pa×s	421.35	Joback Calculated Property
η	0.0003368	Pa×s	466.36	Joback Calculated Property
η	0.0002539	Pa×s	511.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans (cis,cis)-Bicyclo[10.1.0]trideca-4,8-diene.

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
• Joback Method
• 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.