Chemical Properties of 5-Methyl-1-heptanol (CAS 7212-53-5)

InChI

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

InChI Key

KFARNLMRENFOHE-UHFFFAOYSA-N

Formula

C8H18O

SMILES

CCC(C)CCCCO

Molecular Weight¹

130.23

CAS

7212-53-5

• 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).
• 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).
• 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	0.6626		Relay (1.0) Calculated Property
ΔfG°	-122.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-381.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.04	kJ/mol	Joback Calculated Property
ΔvapH°	67.62	kJ/mol	Relay (1.0) Calculated Property
IE	9.87	eV	Relay (1.0) Calculated Property
log10WS	-2.38		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
Tboil	[455.65; 459.65]	K
Tboil	455.65 ± 3.00	K	NIST
Tboil	459.65 ± 0.50	K	NIST
Tc	652.43	K	Relay (1.0) Calculated Property
Tfus	169.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.459	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.38; 451.27]	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			-7.75000e-01
Coefficient B			8.03740e-01
Coefficient C			-4.45000e-04
Coefficient D			9.33000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.38	J/mol×K	273.00	Calculated Property
Cp,gas	232.01	J/mol×K	353.78	Calculated Property
Cp,gas	272.12	J/mol×K	434.56	Calculated Property
Cp,gas	308.01	J/mol×K	515.33	Calculated Property
Cp,gas	339.98	J/mol×K	596.11	Calculated Property
Cp,gas	368.31	J/mol×K	676.89	Calculated Property
Cp,gas	393.32	J/mol×K	757.67	Calculated Property
Cp,gas	415.28	J/mol×K	838.44	Calculated Property
Cp,gas	434.50	J/mol×K	919.22	Calculated Property
Cp,gas	451.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[7.7105037; 0.0002454]	Pa×s	[169.15; 446.16]	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			-1.46357e+01
Coefficient B			2.82113e+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.			169.15
Temperature range, max.			446.16
η	7.7105037	Pa×s	169.15	Calculated Property
η	0.5915644	Pa×s	199.93	Calculated Property
η	0.0900420	Pa×s	230.71	Calculated Property
η	0.0213477	Pa×s	261.49	Calculated Property
η	0.0068535	Pa×s	292.26	Calculated Property
η	0.0027321	Pa×s	323.04	Calculated Property
η	0.0012781	Pa×s	353.82	Calculated Property
η	0.0006752	Pa×s	384.60	Calculated Property
η	0.0003921	Pa×s	415.38	Calculated Property
η	0.0002454	Pa×s	446.16	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[352.25; 479.46]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.67708e+01
Coefficient B			-4.78275e+03
Coefficient C			-6.20890e+01
Temperature range, min.			352.25
Temperature range, max.			479.46
Pvap	1.33	kPa	352.25	Calculated Property
Pvap	2.87	kPa	366.38	Calculated Property
Pvap	5.76	kPa	380.52	Calculated Property
Pvap	10.91	kPa	394.65	Calculated Property
Pvap	19.60	kPa	408.79	Calculated Property
Pvap	33.65	kPa	422.92	Calculated Property
Pvap	55.46	kPa	437.06	Calculated Property
Pvap	88.15	kPa	451.19	Calculated Property
Pvap	135.63	kPa	465.33	Calculated Property
Pvap	202.67	kPa	479.46	Calculated Property

Similar Compounds

Find more compounds similar to 5-Methyl-1-heptanol.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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