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

• 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).
• 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 : 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
ΔfG°	68.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-368.77	kJ/mol	Joback Calculated Property
ΔfusH°	24.04	kJ/mol	Joback Calculated Property
ΔvapH°	47.82	kJ/mol	Joback Calculated Property
log10WS	-5.38		Crippen 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
I	[1344.00; 1362.00]
I	1360.00		NIST
I	1362.00		NIST
I	1344.00		NIST
I	1350.00		NIST
I	1354.00		NIST
Tboil	525.10 ± 0.50	K	NIST
Tc	708.78	K	Joback Calculated Property
Tfus	213.81	K	Joback Calculated Property
Vc	0.858	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[558.60; 665.77]	J/mol×K	[541.28; 708.78]
Cp,gas	558.60	J/mol×K	541.28	Joback Calculated Property
Cp,gas	578.41	J/mol×K	569.20	Joback Calculated Property
Cp,gas	597.41	J/mol×K	597.11	Joback Calculated Property
Cp,gas	615.63	J/mol×K	625.03	Joback Calculated Property
Cp,gas	633.08	J/mol×K	652.95	Joback Calculated Property
Cp,gas	649.78	J/mol×K	680.87	Joback Calculated Property
Cp,gas	665.77	J/mol×K	708.78	Joback Calculated Property
η	[0.0001394; 0.0251735]	Pa×s	[213.81; 541.28]
η	0.0251735	Pa×s	213.81	Joback Calculated Property
η	0.0043898	Pa×s	268.39	Joback Calculated Property
η	0.0013813	Pa×s	322.97	Joback Calculated Property
η	0.0006072	Pa×s	377.54	Joback Calculated Property
η	0.0003285	Pa×s	432.12	Joback Calculated Property
η	0.0002040	Pa×s	486.70	Joback Calculated Property
η	0.0001394	Pa×s	541.28	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.