Chemical Properties of Pentadecane, 4-methyl- (CAS 2801-87-8)

InChI

InChI=1S/C16H34/c1-4-6-7-8-9-10-11-12-13-15-16(3)14-5-2/h16H,4-15H2,1-3H3

InChI Key

ODDVOCXSLXTIIU-UHFFFAOYSA-N

Formula

C16H34

SMILES

CCCCCCCCCCCC(C)CCC

Molecular Weight¹

226.44

CAS

2801-87-8

Other Names

• 4-Methylpentadecane

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor 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°	81.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-378.85	kJ/mol	Joback Calculated Property
ΔfusH°	33.67	kJ/mol	Joback Calculated Property
ΔvapH°	50.82	kJ/mol	Joback Calculated Property
log10WS	-6.28		Crippen Calculated Property
logPoct/wat	6.344		Crippen Calculated Property
McVol	236.300	ml/mol	McGowan Calculated Property
Pc	1326.17	kPa	Joback Calculated Property
Inp	[1554.00; 1560.00]
Inp	1560.00		NIST
Inp	1557.00		NIST
Inp	1560.00		NIST
Inp	1554.00		NIST
Inp	1556.00		NIST
I	1555.00		NIST
Tboil	565.04	K	Joback Calculated Property
Tc	726.28	K	Joback Calculated Property
Tfus	250.00 ± 2.00	K	NIST
Vc	0.925	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[611.96; 717.90]	J/mol×K	[565.04; 726.28]
Cp,gas	611.96	J/mol×K	565.04	Joback Calculated Property
Cp,gas	631.47	J/mol×K	591.91	Joback Calculated Property
Cp,gas	650.21	J/mol×K	618.79	Joback Calculated Property
Cp,gas	668.20	J/mol×K	645.66	Joback Calculated Property
Cp,gas	685.47	J/mol×K	672.53	Joback Calculated Property
Cp,gas	702.03	J/mol×K	699.40	Joback Calculated Property
Cp,gas	717.90	J/mol×K	726.28	Joback Calculated Property
η	[0.0001427; 0.0077044]	Pa×s	[255.08; 565.04]
η	0.0077044	Pa×s	255.08	Joback Calculated Property
η	0.0022640	Pa×s	306.74	Joback Calculated Property
η	0.0009470	Pa×s	358.40	Joback Calculated Property
η	0.0004934	Pa×s	410.06	Joback Calculated Property
η	0.0002974	Pa×s	461.72	Joback Calculated Property
η	0.0001985	Pa×s	513.38	Joback Calculated Property
η	0.0001427	Pa×s	565.04	Joback Calculated Property
ΔvapH	57.80	kJ/mol	482.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[411.85; 584.86]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.73871e+01
Coefficient B			-7.11088e+03
Coefficient C			4.00100e+00
Temperature range, min.			411.85
Temperature range, max.			584.86
Pvap	1.33	kPa	411.85	Calculated Property
Pvap	2.84	kPa	431.07	Calculated Property
Pvap	5.67	kPa	450.30	Calculated Property
Pvap	10.70	kPa	469.52	Calculated Property
Pvap	19.22	kPa	488.74	Calculated Property
Pvap	33.04	kPa	507.97	Calculated Property
Pvap	54.62	kPa	527.19	Calculated Property
Pvap	87.18	kPa	546.41	Calculated Property
Pvap	134.82	kPa	565.64	Calculated Property
Pvap	202.65	kPa	584.86	Calculated Property

Similar Compounds

Find more compounds similar to Pentadecane, 4-methyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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