Chemical Properties of 2-Butyldecalin, cis

InChI

InChI=1S/C14H26/c1-2-3-6-12-9-10-13-7-4-5-8-14(13)11-12/h12-14H,2-11H2,1H3/t12?,13-,14+/m0/s1

InChI Key

VYMIQGUNEIJWAR-KFTPUPIBSA-N

Formula

C14H26

SMILES

CCCCC1CCC2CCCCC2C1

Molecular Weight¹

194.36

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• I_np : Non-polar retention indices.
• 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	0.3862		Relay (1.0) Calculated Property
ΔfG°	132.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-230.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.96	kJ/mol	Joback Calculated Property
ΔvapH°	66.98	kJ/mol	Relay (1.0) Calculated Property
IE	9.25	eV	Relay (1.0) Calculated Property
log10WS	-6.62		Relay (1.0) Calculated Property
logPoct/wat	4.783		Crippen Calculated Property
McVol	186.400	ml/mol	McGowan Calculated Property
Pc	2001.91	kPa	Joback Calculated Property
Inp	[1460.00; 1460.00]
Inp	1460.00		NIST
Inp	1460.00		NIST
Tboil	535.55	K	Relay (1.0) Calculated Property
Tc	751.79	K	Relay (1.0) Calculated Property
Tfus	251.30	K	Relay (1.0) Calculated Property
Vc	0.680	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[238.29; 714.85]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.24867e+02
Coefficient B			1.57072e+00
Coefficient C			-9.37200e-04
Coefficient D			2.06200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.29	J/mol×K	273.00	Calculated Property
Cp,gas	322.65	J/mol×K	353.78	Calculated Property
Cp,gas	397.64	J/mol×K	434.56	Calculated Property
Cp,gas	463.91	J/mol×K	515.33	Calculated Property
Cp,gas	522.10	J/mol×K	596.11	Calculated Property
Cp,gas	572.88	J/mol×K	676.89	Calculated Property
Cp,gas	616.89	J/mol×K	757.67	Calculated Property
Cp,gas	654.79	J/mol×K	838.44	Calculated Property
Cp,gas	687.23	J/mol×K	919.22	Calculated Property
Cp,gas	714.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039102; 0.0004085]	Pa×s	[265.10; 527.92]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.00813e+01
Coefficient B			1.20279e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			265.10
Temperature range, max.			527.92
η	0.0039102	Pa×s	265.10	Calculated Property
η	0.0024928	Pa×s	294.30	Calculated Property
η	0.0017237	Pa×s	323.50	Calculated Property
η	0.0012670	Pa×s	352.71	Calculated Property
η	0.0009762	Pa×s	381.91	Calculated Property
η	0.0007805	Pa×s	411.11	Calculated Property
η	0.0006428	Pa×s	440.31	Calculated Property
η	0.0005424	Pa×s	469.52	Calculated Property
η	0.0004668	Pa×s	498.72	Calculated Property
η	0.0004085	Pa×s	527.92	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butyldecalin, cis.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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