Chemical Properties of Heptadecane, 2-methyl- (CAS 1560-89-0)

InChI

InChI=1S/C18H38/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3/h18H,4-17H2,1-3H3

InChI Key

RJWUMFHQJJBBOD-UHFFFAOYSA-N

Formula

C18H38

SMILES

CCCCCCCCCCCCCCCC(C)C

Molecular Weight¹

254.49

CAS

1560-89-0

Other Names

• 2-Methylheptadecane

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_boilr : Boiling point at reduced pressure (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	0.7597		Relay (1.0) Calculated Property
ΔfG°	98.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-430.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.85	kJ/mol	Joback Calculated Property
ΔvapH°	89.81	kJ/mol	Relay (1.0) Calculated Property
IE	9.82	eV	Relay (1.0) Calculated Property
log10WS	-8.07		Relay (1.0) Calculated Property
logPoct/wat	7.124		Crippen Calculated Property
McVol	264.480	ml/mol	McGowan Calculated Property
Pc	1158.50	kPa	Joback Calculated Property
Inp	[1760.00; 1766.00]
Inp	1764.00		NIST
Inp	1765.00		NIST
Inp	1764.00		NIST
Inp	1765.30		NIST
Inp	1766.00		NIST
Inp	1765.00		NIST
Inp	1766.00		NIST
Inp	Outlier 1760.00		NIST
Inp	1766.00		NIST
Tboil	584.20	K	NIST
Tc	727.56	K	Relay (1.0) Calculated Property
Tfus	[278.00; 278.00]	K
Tfus	278.00 ± 3.00	K	NIST
Tfus	278.00 ± 3.00	K	NIST
Vc	1.061	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[387.02; 948.50]	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			-1.51560e+01
Coefficient B			1.71976e+00
Coefficient C			-9.58600e-04
Coefficient D			2.02500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	387.02	J/mol×K	273.00	Calculated Property
Cp,gas	482.25	J/mol×K	353.78	Calculated Property
Cp,gas	567.77	J/mol×K	434.56	Calculated Property
Cp,gas	644.23	J/mol×K	515.33	Calculated Property
Cp,gas	712.27	J/mol×K	596.11	Calculated Property
Cp,gas	772.52	J/mol×K	676.89	Calculated Property
Cp,gas	825.63	J/mol×K	757.67	Calculated Property
Cp,gas	872.24	J/mol×K	838.44	Calculated Property
Cp,gas	912.98	J/mol×K	919.22	Calculated Property
Cp,gas	948.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0062870; 0.0001773]	Pa×s	[278.00; 540.39]	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			-1.24187e+01
Coefficient B			2.04314e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			278.00
Temperature range, max.			540.39
η	0.0062870	Pa×s	278.00	Calculated Property
η	0.0031296	Pa×s	307.15	Calculated Property
η	0.0017581	Pa×s	336.31	Calculated Property
η	0.0010829	Pa×s	365.46	Calculated Property
η	0.0007165	Pa×s	394.62	Calculated Property
η	0.0005018	Pa×s	423.77	Calculated Property
η	0.0003679	Pa×s	452.93	Calculated Property
η	0.0002800	Pa×s	482.08	Calculated Property
η	0.0002199	Pa×s	511.24	Calculated Property
η	0.0001773	Pa×s	540.39	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[443.93; 619.18]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.43154e+01
Coefficient B			-4.40588e+03
Coefficient C			-1.29850e+02
Temperature range, min.			443.93
Temperature range, max.			619.18
Pvap	1.33	kPa	443.93	Calculated Property
Pvap	3.02	kPa	463.40	Calculated Property
Pvap	6.27	kPa	482.87	Calculated Property
Pvap	12.03	kPa	502.35	Calculated Property
Pvap	21.65	kPa	521.82	Calculated Property
Pvap	36.86	kPa	541.29	Calculated Property
Pvap	59.79	kPa	560.76	Calculated Property
Pvap	93.03	kPa	580.24	Calculated Property
Pvap	139.54	kPa	599.71	Calculated Property
Pvap	202.66	kPa	619.18	Calculated Property
Pvap	[0.13; 102.53]	kPa	[393.00; 579.70]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.77734e+01
Coefficient B			-7.30971e+03
Coefficient C			-2.35410e+01
Reference			Stull, 1947
Temperature range, min.			393.00
Temperature range, max.			579.70
Pvap	0.13	kPa	393.00	Calculated Property
Pvap	0.38	kPa	413.74	Calculated Property
Pvap	0.99	kPa	434.49	Calculated Property
Pvap	2.32	kPa	455.23	Calculated Property
Pvap	5.04	kPa	475.98	Calculated Property
Pvap	10.23	kPa	496.72	Calculated Property
Pvap	19.57	kPa	517.47	Calculated Property
Pvap	35.54	kPa	538.21	Calculated Property
Pvap	61.62	kPa	558.96	Calculated Property
Pvap	102.53	kPa	579.70	Calculated Property

Similar Compounds

Find more compounds similar to Heptadecane, 2-methyl-.

Sources

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

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