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

• 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
ΔfG°	-100.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-410.71	kJ/mol	Joback Calculated Property
ΔfusH°	18.33	kJ/mol	Joback Calculated Property
ΔvapH°	53.24	kJ/mol	Joback Calculated Property
log10WS	-3.38		Crippen 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	683.80	K	Joback Calculated Property
Tfus	265.70	K	Joback Calculated Property
Vc	0.604	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[383.55; 458.94]	J/mol×K	[517.15; 683.80]
Cp,gas	383.55	J/mol×K	517.15	Joback Calculated Property
Cp,gas	397.63	J/mol×K	544.92	Joback Calculated Property
Cp,gas	411.07	J/mol×K	572.70	Joback Calculated Property
Cp,gas	423.89	J/mol×K	600.47	Joback Calculated Property
Cp,gas	436.13	J/mol×K	628.25	Joback Calculated Property
Cp,gas	447.81	J/mol×K	656.02	Joback Calculated Property
Cp,gas	458.94	J/mol×K	683.80	Joback Calculated Property
Cp,liquid	446.60	J/mol×K	298.15	NIST
η	[0.0001201; 0.0428890]	Pa×s	[265.70; 517.15]
η	0.0428890	Pa×s	265.70	Joback Calculated Property
η	0.0082611	Pa×s	307.61	Joback Calculated Property
η	0.0023619	Pa×s	349.52	Joback Calculated Property
η	0.0008829	Pa×s	391.43	Joback Calculated Property
η	0.0003993	Pa×s	433.33	Joback Calculated Property
η	0.0002077	Pa×s	475.24	Joback Calculated Property
η	0.0001201	Pa×s	517.15	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[360.72; 491.90]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

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

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