Chemical Properties of 1-Heptanol, 6-methyl- (CAS 1653-40-3)

InChI

InChI=1S/C8H18O/c1-8(2)6-4-3-5-7-9/h8-9H,3-7H2,1-2H3

InChI Key

BWDBEAQIHAEVLV-UHFFFAOYSA-N

Formula

C8H18O

SMILES

CC(C)CCCCCO

Molecular Weight¹

130.23

CAS

1653-40-3

Other Names

• 1-heptanol, 6-methyl
• 6-Methyl-1-heptanol
• 6-Methylheptanol

• 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 : 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
ω	0.6762		Relay (1.0) Calculated Property
ΔfG°	-122.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-379.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.04	kJ/mol	Joback Calculated Property
ΔvapH°	67.19	kJ/mol	Relay (1.0) Calculated Property
IE	9.85	eV	Relay (1.0) Calculated Property
log10WS	-2.42		Relay (1.0) Calculated Property
logPoct/wat	2.195		Crippen Calculated Property
McVol	129.450	ml/mol	McGowan Calculated Property
Pc	2811.36	kPa	Joback Calculated Property
I	1524.00		NIST
Tboil	[460.15; 460.75]	K
Tboil	460.15 ± 3.00	K	NIST
Tboil	460.75 ± 0.50	K	NIST
Tc	649.72	K	Relay (1.0) Calculated Property
Tfus	238.26	K	Relay (1.0) Calculated Property
Vc	0.471	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[290.23; 354.79]	J/mol×K	[474.18; 637.10]
Cp,gas	290.23	J/mol×K	474.18	Joback Calculated Property
Cp,gas	302.08	J/mol×K	501.33	Joback Calculated Property
Cp,gas	313.47	J/mol×K	528.49	Joback Calculated Property
Cp,gas	324.43	J/mol×K	555.64	Joback Calculated Property
Cp,gas	334.96	J/mol×K	582.79	Joback Calculated Property
Cp,gas	345.08	J/mol×K	609.94	Joback Calculated Property
Cp,gas	354.79	J/mol×K	637.10	Joback Calculated Property
η	[0.0001689; 0.1178389]	Pa×s	[225.74; 474.18]
η	0.1178389	Pa×s	225.74	Joback Calculated Property
η	0.0169844	Pa×s	267.15	Joback Calculated Property
η	0.0041171	Pa×s	308.55	Joback Calculated Property
η	0.0013956	Pa×s	349.96	Joback Calculated Property
η	0.0005948	Pa×s	391.37	Joback Calculated Property
η	0.0002984	Pa×s	432.77	Joback Calculated Property
η	0.0001689	Pa×s	474.18	Joback Calculated Property
ΔvapH	61.00	kJ/mol	489.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[357.25; 484.56]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.57346e+01
Coefficient B			-4.08017e+03
Coefficient C			-9.31050e+01
Temperature range, min.			357.25
Temperature range, max.			484.56
Pvap	1.33	kPa	357.25	Calculated Property
Pvap	2.92	kPa	371.40	Calculated Property
Pvap	5.94	kPa	385.54	Calculated Property
Pvap	11.31	kPa	399.69	Calculated Property
Pvap	20.35	kPa	413.83	Calculated Property
Pvap	34.83	kPa	427.98	Calculated Property
Pvap	57.06	kPa	442.12	Calculated Property
Pvap	89.97	kPa	456.27	Calculated Property
Pvap	137.10	kPa	470.41	Calculated Property
Pvap	202.66	kPa	484.56	Calculated Property

Similar Compounds

Find more compounds similar to 1-Heptanol, 6-methyl-.

Mixtures

• 1-Heptanol, 6-methyl- + 1H-Benzotriazole, 1-hydroxy-

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Thermodynamic Functions for Solubility of 1-Hydroxybenzotriazole in Sixteen Solvents at Temperatures from (278.15 to 313.15) K and Mixing Property of Mixtures
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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