Chemical Properties of Quinoline, decahydro-, trans- (CAS 767-92-0)

InChI

InChI=1S/C9H17N/c1-2-6-9-8(4-1)5-3-7-10-9/h8-10H,1-7H2/t8-,9+/m0/s1

InChI Key

POTIYWUALSJREP-DTWKUNHWSA-N

Formula

C9H17N

SMILES

C1CCC2NCCCC2C1

Molecular Weight¹

139.24

CAS

767-92-0

Other Names

• trans-Decahydroquinoline
• Decahydroquinoline, (E)-

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-5780.30 ± 1.30	kJ/mol	NIST
ΔfH°gas	-112.90 ± 1.00	kJ/mol	NIST
ΔfH°solid	-190.80 ± 1.40	kJ/mol	NIST
ΔfusH°	16.53	kJ/mol	Joback Calculated Property
ΔsubH°	[77.90; 77.90]	kJ/mol
ΔsubH°	77.90	kJ/mol	NIST
ΔsubH°	77.90	kJ/mol	NIST
ΔvapH°	56.83	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.929		Crippen Calculated Property
McVol	125.930	ml/mol	McGowan Calculated Property
Inp	[1142.00; 1142.00]
Inp	1142.00		NIST
Inp	1142.00		NIST
Ttriple	[321.30; 321.30]	K
Ttriple	321.30 ± 0.01	K	NIST
Ttriple	321.30 ± 0.01	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[289.06; 398.52]	J/mol×K	[484.43; 716.50]
Cp,gas	289.06	J/mol×K	484.43	Joback Calculated Property
Cp,gas	310.41	J/mol×K	523.11	Joback Calculated Property
Cp,gas	330.45	J/mol×K	561.79	Joback Calculated Property
Cp,gas	349.23	J/mol×K	600.46	Joback Calculated Property
Cp,gas	366.80	J/mol×K	639.14	Joback Calculated Property
Cp,gas	383.22	J/mol×K	677.82	Joback Calculated Property
Cp,gas	398.52	J/mol×K	716.50	Joback Calculated Property
ΔfusH	[25.72; 25.72]	kJ/mol	[321.40; 321.40]
ΔfusH	25.72	kJ/mol	321.40	NIST
ΔfusH	25.72	kJ/mol	321.40	NIST
ΔvapH	[39.50; 50.40]	kJ/mol	[425.00; 425.00]
ΔvapH	50.40	kJ/mol	425.00	NIST
ΔvapH	47.60	kJ/mol	425.00	NIST
ΔvapH	45.00	kJ/mol	425.00	NIST
ΔvapH	42.30	kJ/mol	425.00	NIST
ΔvapH	39.50	kJ/mol	425.00	NIST
ΔvapH	50.40	kJ/mol	425.00	NIST
ΔvapH	47.60	kJ/mol	425.00	NIST
ΔvapH	45.00	kJ/mol	425.00	NIST
ΔvapH	42.30	kJ/mol	425.00	NIST
ΔvapH	39.50	kJ/mol	425.00	NIST

Similar Compounds

Find more compounds similar to Quinoline, decahydro-, trans-.

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.
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