Chemical Properties of 2-Heptanol, 2-methyl- (CAS 625-25-2)

InChI

InChI=1S/C8H18O/c1-4-5-6-7-8(2,3)9/h9H,4-7H2,1-3H3

InChI Key

ACBMYYVZWKYLIP-UHFFFAOYSA-N

Formula

C8H18O

SMILES

CCCCCC(C)(C)O

Molecular Weight¹

130.23

CAS

625-25-2

Other Names

• 2-methyl-2-heptanol
• 2-methylheptan-2-ol
• dimethylpentylcarbinol

• 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).
• I_np : Non-polar retention indices.
• I : 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	0.6420		Relay (1.0) Calculated Property
ΔfG°	-117.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-402.69	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.15	kJ/mol	Joback Calculated Property
ΔvapH°	62.90 ± 0.20	kJ/mol	NIST
IE	9.79	eV	Relay (1.0) Calculated Property
log10WS	[-1.72; -1.72]
log10WS	-1.72		Aq. Solubility Prediction
log10WS	-1.72		Estimated Solubility
logPoct/wat	2.338		Crippen Calculated Property
McVol	129.450	ml/mol	McGowan Calculated Property
Pc	2844.44	kPa	Joback Calculated Property
Inp	[879.90; 920.00]
Inp	885.00		NIST
Inp	Outlier 879.90		NIST
Inp	920.00		NIST
Inp	919.00		NIST
Inp	920.00		NIST
Inp	920.00		NIST
Inp	920.00		NIST
Inp	920.00		NIST
Inp	916.00		NIST
Inp	920.00		NIST
Inp	920.00		NIST
Inp	916.00		NIST
Inp	916.00		NIST
Inp	920.00		NIST
Inp	916.00		NIST
Inp	885.00		NIST
I	[1265.00; 1280.00]
I	1265.00		NIST
I	1280.00		NIST
Tboil	[428.65; 435.15]	K
Tboil	429.20	K	NIST
Tboil	429.25 ± 0.50	K	NIST
Tboil	428.65 ± 5.00	K	NIST
Tboil	435.15 ± 3.00	K	NIST
Tboil	435.15 ± 2.00	K	NIST
Tboil	434.65 ± 3.00	K	NIST
Tboil	435.15 ± 3.00	K	NIST
Tc	611.99	K	Relay (1.0) Calculated Property
Tfus	222.95	K	Aq. Solubility Prediction
Vc	0.492	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[292.85; 359.77]	J/mol×K	[471.39; 640.25]
Cp,gas	292.85	J/mol×K	471.39	Joback Calculated Property
Cp,gas	305.37	J/mol×K	499.53	Joback Calculated Property
Cp,gas	317.32	J/mol×K	527.68	Joback Calculated Property
Cp,gas	328.71	J/mol×K	555.82	Joback Calculated Property
Cp,gas	339.57	J/mol×K	583.96	Joback Calculated Property
Cp,gas	349.91	J/mol×K	612.10	Joback Calculated Property
Cp,gas	359.77	J/mol×K	640.25	Joback Calculated Property
Cp,liquid	337.60	J/mol×K	298.50	NIST
η	[0.0001803; 0.0742698]	Pa×s	[243.16; 471.39]
η	0.0742698	Pa×s	243.16	Joback Calculated Property
η	0.0138116	Pa×s	281.20	Joback Calculated Property
η	0.0038351	Pa×s	319.24	Joback Calculated Property
η	0.0013989	Pa×s	357.27	Joback Calculated Property
η	0.0006196	Pa×s	395.31	Joback Calculated Property
η	0.0003166	Pa×s	433.35	Joback Calculated Property
η	0.0001803	Pa×s	471.39	Joback Calculated Property
ΔvapH	[53.10; 55.00]	kJ/mol	[384.00; 386.50]
ΔvapH	55.00	kJ/mol	384.00	NIST
ΔvapH	53.10	kJ/mol	386.50	NIST
Pvap	[0.01; 0.35]	kPa	[275.40; 314.20]
Pvap	0.01	kPa	275.40	Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
Pvap	0.02	kPa	278.40	Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
Pvap	0.02	kPa	281.20	Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
Pvap	0.03	kPa	284.20	Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
Pvap	0.04	kPa	287.20	Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
Pvap	0.05	kPa	290.20	Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
Pvap	0.06	kPa	293.20	Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
Pvap	0.08	kPa	296.20	Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
Pvap	0.11	kPa	299.30	Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
Pvap	0.14	kPa	302.30	Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
Pvap	0.18	kPa	305.20	Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
Pvap	0.23	kPa	308.20	Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
Pvap	0.28	kPa	311.30	Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
Pvap	0.35	kPa	314.20	Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[332.67; 456.17]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49721e+01
Coefficient B			-3.48722e+03
Coefficient C			-9.51910e+01
Temperature range, min.			332.67
Temperature range, max.			456.17
Pvap	1.33	kPa	332.67	Calculated Property
Pvap	2.97	kPa	346.39	Calculated Property
Pvap	6.10	kPa	360.11	Calculated Property
Pvap	11.67	kPa	373.84	Calculated Property
Pvap	21.00	kPa	387.56	Calculated Property
Pvap	35.85	kPa	401.28	Calculated Property
Pvap	58.45	kPa	415.00	Calculated Property
Pvap	91.53	kPa	428.73	Calculated Property
Pvap	138.36	kPa	442.45	Calculated Property
Pvap	202.67	kPa	456.17	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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