Chemical Properties of 4-Heptanol, 4-propyl- (CAS 2198-72-3)

InChI

InChI=1S/C10H22O/c1-4-7-10(11,8-5-2)9-6-3/h11H,4-9H2,1-3H3

InChI Key

SJTPBRMACCDJPZ-UHFFFAOYSA-N

Formula

C10H22O

SMILES

CCCC(O)(CCC)CCC

Molecular Weight¹

158.28

CAS

2198-72-3

Other Names

• 4-Propyl-4-heptanol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• P_vap : Vapor pressure (kPa).
• 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	0.6632		Relay (1.0) Calculated Property
ΔfG°	-100.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-399.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.33	kJ/mol	Joback Calculated Property
ΔvapH°	64.94	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.47		Relay (1.0) Calculated Property
logPoct/wat	3.118		Crippen Calculated Property
McVol	157.630	ml/mol	McGowan Calculated Property
Pc	2340.56	kPa	Joback Calculated Property
Tboil	[465.15; 467.15]	K
Tboil	467.15 ± 4.00	K	NIST
Tboil	465.15 ± 4.00	K	NIST
Tc	650.08	K	Relay (1.0) Calculated Property
Tfus	250.74	K	Relay (1.0) Calculated Property
Vc	0.571	m3/kmol	Relay (1.0) Calculated Property

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Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[228.66; 555.38]	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			-2.53840e+01
Coefficient B			1.11366e+00
Coefficient C			-7.22400e-04
Coefficient D			1.89500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	228.66	J/mol×K	273.00	Calculated Property
Cp,gas	286.58	J/mol×K	353.78	Calculated Property
Cp,gas	337.70	J/mol×K	434.56	Calculated Property
Cp,gas	382.61	J/mol×K	515.33	Calculated Property
Cp,gas	421.92	J/mol×K	596.11	Calculated Property
Cp,gas	456.22	J/mol×K	676.89	Calculated Property
Cp,gas	486.12	J/mol×K	757.67	Calculated Property
Cp,gas	512.21	J/mol×K	838.44	Calculated Property
Cp,gas	535.10	J/mol×K	919.22	Calculated Property
Cp,gas	555.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0428890; 0.0001974]	Pa×s	[265.70; 478.84]	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			-1.52386e+01
Coefficient B			3.21217e+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.			265.70
Temperature range, max.			478.84
η	0.0428890	Pa×s	265.70	Calculated Property
η	0.0159464	Pa×s	289.38	Calculated Property
η	0.0068863	Pa×s	313.07	Calculated Property
η	0.0033466	Pa×s	336.75	Calculated Property
η	0.0017882	Pa×s	360.43	Calculated Property
η	0.0010322	Pa×s	384.11	Calculated Property
η	0.0006351	Pa×s	407.80	Calculated Property
η	0.0004122	Pa×s	431.48	Calculated Property
η	0.0002798	Pa×s	455.16	Calculated Property
η	0.0001974	Pa×s	478.84	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[360.72; 491.90]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.64066e+01
Coefficient B			-4.66971e+03
Coefficient C			-7.10180e+01
Temperature range, min.			360.72
Temperature range, max.			491.90
Pvap	1.33	kPa	360.72	Calculated Property
Pvap	2.89	kPa	375.30	Calculated Property
Pvap	5.82	kPa	389.87	Calculated Property
Pvap	11.04	kPa	404.45	Calculated Property
Pvap	19.85	kPa	419.02	Calculated Property
Pvap	34.04	kPa	433.60	Calculated Property
Pvap	55.99	kPa	448.17	Calculated Property
Pvap	88.76	kPa	462.75	Calculated Property
Pvap	136.12	kPa	477.32	Calculated Property
Pvap	202.66	kPa	491.90	Calculated Property

Similar Compounds

Find more compounds similar to 4-Heptanol, 4-propyl-.

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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