Chemical Properties of 3,3-Diethyloctane (CAS 17302-40-8)

InChI

InChI=1S/C12H26/c1-5-9-10-11-12(6-2,7-3)8-4/h5-11H2,1-4H3

InChI Key

DGJISSKLLWWXTG-UHFFFAOYSA-N

Formula

C12H26

SMILES

CCCCCC(CC)(CC)CC

Molecular Weight¹

170.33

CAS

17302-40-8

• 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).
• P_vap : Vapor 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	0.4497		Relay (1.0) Calculated Property
ΔfG°	53.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-274.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.42	kJ/mol	Joback Calculated Property
ΔvapH°	52.94	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-5.71		Relay (1.0) Calculated Property
logPoct/wat	4.783		Crippen Calculated Property
McVol	179.940	ml/mol	McGowan Calculated Property
Pc	1809.23	kPa	Joback Calculated Property
Inp	[1167.00; 1167.00]
Inp	1167.00		NIST
Inp	1167.00		NIST
Tboil	471.61	K	Relay (1.0) Calculated Property
Tc	648.24	K	Relay (1.0) Calculated Property
Tfus	206.00	K	Relay (1.0) Calculated Property
Vc	0.629	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[408.96; 505.93]	J/mol×K	[470.73; 640.99]
Cp,gas	408.96	J/mol×K	470.73	Joback Calculated Property
Cp,gas	427.03	J/mol×K	499.11	Joback Calculated Property
Cp,gas	444.30	J/mol×K	527.48	Joback Calculated Property
Cp,gas	460.79	J/mol×K	555.86	Joback Calculated Property
Cp,gas	476.54	J/mol×K	584.24	Joback Calculated Property
Cp,gas	491.58	J/mol×K	612.61	Joback Calculated Property
Cp,gas	505.93	J/mol×K	640.99	Joback Calculated Property
η	[0.0002128; 0.0097058]	Pa×s	[227.42; 470.73]
η	0.0097058	Pa×s	227.42	Joback Calculated Property
η	0.0031716	Pa×s	267.97	Joback Calculated Property
η	0.0013906	Pa×s	308.52	Joback Calculated Property
η	0.0007385	Pa×s	349.07	Joback Calculated Property
η	0.0004474	Pa×s	389.63	Joback Calculated Property
η	0.0002979	Pa×s	430.18	Joback Calculated Property
η	0.0002128	Pa×s	470.73	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[355.51; 509.20]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39478e+01
Coefficient B			-3.60895e+03
Coefficient C			-9.13150e+01
Temperature range, min.			355.51
Temperature range, max.			509.20
Pvap	1.33	kPa	355.51	Calculated Property
Pvap	3.06	kPa	372.59	Calculated Property
Pvap	6.37	kPa	389.66	Calculated Property
Pvap	12.26	kPa	406.74	Calculated Property
Pvap	22.06	kPa	423.82	Calculated Property
Pvap	37.49	kPa	440.89	Calculated Property
Pvap	60.63	kPa	457.97	Calculated Property
Pvap	93.96	kPa	475.05	Calculated Property
Pvap	140.27	kPa	492.12	Calculated Property
Pvap	202.66	kPa	509.20	Calculated Property

Similar Compounds

Find more compounds similar to 3,3-Diethyloctane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.