Chemical Properties of Dodecane, 2,6,10-trimethyl- (CAS 3891-98-3)

InChI

InChI=1S/C15H32/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h13-15H,6-12H2,1-5H3

InChI Key

YFHFHLSMISYUAQ-UHFFFAOYSA-N

Formula

C15H32

SMILES

CCC(C)CCCC(C)CCCC(C)C

Molecular Weight¹

212.41

CAS

3891-98-3

Other Names

• Farnesan
• Farnesane
• 2,6,10-Trimethyldodecane

• 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.
• I_p : 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	0.5755		Relay (1.0) Calculated Property
ΔfG°	68.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-406.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.04	kJ/mol	Joback Calculated Property
ΔvapH°	67.83	kJ/mol	Relay (1.0) Calculated Property
IE	9.38	eV	Relay (1.0) Calculated Property
log10WS	-7.07		Relay (1.0) Calculated Property
logPoct/wat	5.665		Crippen Calculated Property
McVol	222.210	ml/mol	McGowan Calculated Property
Pc	1441.35	kPa	Joback Calculated Property
Inp	[1358.00; 1392.00]
Inp	1374.00		NIST
Inp	1366.00		NIST
Inp	1360.30		NIST
Inp	Outlier 1392.00		NIST
Inp	Outlier 1392.00		NIST
Inp	1376.00		NIST
Inp	1379.00		NIST
Inp	1364.00		NIST
Inp	1365.00		NIST
Inp	1379.00		NIST
Inp	1366.00		NIST
Inp	1366.00		NIST
Inp	1369.00		NIST
Inp	1368.00		NIST
Inp	1358.00		NIST
Inp	1363.00		NIST
Inp	1365.00		NIST
Inp	1365.00		NIST
Inp	1366.00		NIST
Inp	1366.00		NIST
Inp	1368.00		NIST
Inp	1368.00		NIST
Inp	1369.00		NIST
Inp	1381.00		NIST
Inp	1376.00		NIST
Inp	1379.00		NIST
Inp	1378.00		NIST
Inp	1379.00		NIST
Inp	1365.00		NIST
Inp	1378.00		NIST
Inp	1365.00		NIST
Inp	1382.00		NIST
Inp	1368.00		NIST
Inp	1379.00		NIST
Inp	1358.00		NIST
Ip	[1344.00; 1362.00]
Ip	1360.00		NIST
Ip	1362.00		NIST
Ip	1344.00		NIST
Ip	1350.00		NIST
Ip	1354.00		NIST
Tboil	525.10 ± 0.50	K	NIST
Tc	678.68	K	Relay (1.0) Calculated Property
Tfus	207.15	K	Relay (1.0) Calculated Property
Vc	0.842	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[322.74; 794.81]	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			-1.57930e+01
Coefficient B			1.44660e+00
Coefficient C			-8.01800e-04
Coefficient D			1.65800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	322.74	J/mol×K	273.00	Calculated Property
Cp,gas	402.97	J/mol×K	353.78	Calculated Property
Cp,gas	475.03	J/mol×K	434.56	Calculated Property
Cp,gas	539.45	J/mol×K	515.33	Calculated Property
Cp,gas	596.74	J/mol×K	596.11	Calculated Property
Cp,gas	647.45	J/mol×K	676.89	Calculated Property
Cp,gas	692.08	J/mol×K	757.67	Calculated Property
Cp,gas	731.17	J/mol×K	838.44	Calculated Property
Cp,gas	765.24	J/mol×K	919.22	Calculated Property
Cp,gas	794.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0251735; 0.0001896]	Pa×s	[213.81; 496.33]	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			-1.22704e+01
Coefficient B			1.83630e+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.			213.81
Temperature range, max.			496.33
η	0.0251735	Pa×s	213.81	Calculated Property
η	0.0083836	Pa×s	245.20	Calculated Property
η	0.0035835	Pa×s	276.59	Calculated Property
η	0.0018215	Pa×s	307.98	Calculated Property
η	0.0010493	Pa×s	339.37	Calculated Property
η	0.0006637	Pa×s	370.77	Calculated Property
η	0.0004509	Pa×s	402.16	Calculated Property
η	0.0003240	Pa×s	433.55	Calculated Property
η	0.0002434	Pa×s	464.94	Calculated Property
η	0.0001896	Pa×s	496.33	Calculated Property

Similar Compounds

Find more compounds similar to Dodecane, 2,6,10-trimethyl-.

Sources

• Cheméo Relay (1.0)
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.